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ZINC Item

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61872363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-(4-chloro-3-fluoro-phenyl)pyridine-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-(4-chlo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	4.87	-57.88	4	4	1	70	304.732	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.44	4.46	-9.1	3	4	0	68	303.724	2	↓ MOL2 SDF SMILES Flexibase

61872379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-aminoprop-1-ynyl)-N-(4-chloro-2-fluoro-phenyl)pyridine-2-carboxamide 5-(3-aminoprop-1-ynyl)-N-(4-chlo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.44	4.94	-53.73	4	4	1	70	304.732	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.44	4.53	-5.93	3	4	0	68	303.724	2	↓ MOL2 SDF SMILES Flexibase

29144017

Analogs

26032750

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Popular Name: N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide N-[3-(methoxymethyl)phenyl]pyrid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.59	4.53	-9.93	1	4	0	51	242.278	4	↓ MOL2 SDF SMILES Flexibase

29144491

Analogs

37985491

Draw Identity 99% 90% 80% 70%

Popular Name: 3,6-dichloro-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide 3,6-dichloro-N-[3-(methoxymethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	5.44	-8.63	1	4	0	51	311.168	4	↓ MOL2 SDF SMILES Flexibase

40235713

Analogs

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Popular Name: N-ethyl-3-hydroxy-N-(m-tolyl)pyridine-2-carboxamide N-ethyl-3-hydroxy-N-(m-tolyl)pyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.82	7.12	-11.46	1	4	0	53	256.305	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.82	7.74	-40.33	1	4	0	58	256.305	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.82	8.13	-54.59	0	4	-1	56	255.297	3	↓ MOL2 SDF SMILES Flexibase

40235811

Analogs

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Popular Name: 6-[ethyl(m-tolyl)carbamoyl]pyridine-2-carboxylic 6-[ethyl(m-tolyl)carbamoyl]pyrid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.35	9.2	-45.29	0	5	-1	73	283.307	4	↓ MOL2 SDF SMILES Flexibase

51482344

Analogs

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Popular Name: 3-chloro-6-ethoxy-N-[3-(hydroxymethyl)phenyl]pyridine-2-carboxamide 3-chloro-6-ethoxy-N-[3-(hydroxym…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	2.14	-10.61	2	5	0	71	306.749	5	↓ MOL2 SDF SMILES Flexibase

35634934

Analogs

22168264
22168267

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide 6-methyl-N-[4-[(1R)-1-(methylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	5.93	-42.5	3	4	1	59	270.356	4	↓ MOL2 SDF SMILES Flexibase

35634935

Analogs

22168264
22168267

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[4-[(1S)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide 6-methyl-N-[4-[(1S)-1-(methylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.83	5.93	-41.75	3	4	1	59	270.356	4	↓ MOL2 SDF SMILES Flexibase

35634974

Analogs

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Popular Name: N-[4-[(1S)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide N-[4-[(1S)-1-(methylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	5.31	-44.81	3	4	1	59	256.329	4	↓ MOL2 SDF SMILES Flexibase

35634975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1R)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide N-[4-[(1R)-1-(methylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	5.31	-44.05	3	4	1	59	256.329	4	↓ MOL2 SDF SMILES Flexibase

35635066

Analogs

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Popular Name: N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]-6-methyl-pyridine-2-carboxamide N-[4-[(1S)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	6.76	-43.08	3	4	1	59	284.383	5	↓ MOL2 SDF SMILES Flexibase

35635067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]-6-methyl-pyridine-2-carboxamide N-[4-[(1R)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	6.76	-42.4	3	4	1	59	284.383	5	↓ MOL2 SDF SMILES Flexibase

35635098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]pyridine-2-carboxamide N-[4-[(1S)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.15	6.16	-43.3	3	4	1	59	270.356	5	↓ MOL2 SDF SMILES Flexibase

35635099

Analogs

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Popular Name: N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]pyridine-2-carboxamide N-[4-[(1R)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.15	6.15	-42.62	3	4	1	59	270.356	5	↓ MOL2 SDF SMILES Flexibase

35635180

Analogs

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Popular Name: N-[4-[(1S)-1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide N-[4-[(1S)-1-(propylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	6.93	-43.99	3	4	1	59	284.383	6	↓ MOL2 SDF SMILES Flexibase

35635181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(1R)-1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide N-[4-[(1R)-1-(propylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	6.92	-43.42	3	4	1	59	284.383	6	↓ MOL2 SDF SMILES Flexibase

35635282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide 6-methyl-N-[3-[(1R)-1-(methylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	5.93	-45.31	3	4	1	59	270.356	4	↓ MOL2 SDF SMILES Flexibase

35635283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-methyl-N-[3-[(1S)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide 6-methyl-N-[3-[(1S)-1-(methylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.81	5.93	-40.63	3	4	1	59	270.356	4	↓ MOL2 SDF SMILES Flexibase

35635318

Analogs

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Popular Name: N-[3-[(1S)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide N-[3-[(1S)-1-(methylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.75	5.32	-44.88	3	4	1	59	256.329	4	↓ MOL2 SDF SMILES Flexibase

35635319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1R)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide N-[3-[(1R)-1-(methylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.75	5.31	-45.7	3	4	1	59	256.329	4	↓ MOL2 SDF SMILES Flexibase

35635408

Analogs

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Popular Name: N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]-6-methyl-pyridine-2-carboxamide N-[3-[(1S)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.18	6.77	-43.36	3	4	1	59	284.383	5	↓ MOL2 SDF SMILES Flexibase

35635409

Analogs

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Popular Name: N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]-6-methyl-pyridine-2-carboxamide N-[3-[(1R)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.18	6.76	-44.02	3	4	1	59	284.383	5	↓ MOL2 SDF SMILES Flexibase

35635440

Analogs

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Popular Name: N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]pyridine-2-carboxamide N-[3-[(1S)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	6.16	-43.57	3	4	1	59	270.356	5	↓ MOL2 SDF SMILES Flexibase

35635441

Analogs

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Popular Name: N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]pyridine-2-carboxamide N-[3-[(1R)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	6.16	-44.23	3	4	1	59	270.356	5	↓ MOL2 SDF SMILES Flexibase

35635520

Analogs

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Popular Name: N-[3-[(1S)-1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide N-[3-[(1S)-1-(propylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	6.92	-44.34	3	4	1	59	284.383	6	↓ MOL2 SDF SMILES Flexibase

35635521

Analogs

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Popular Name: N-[3-[(1R)-1-(propylamino)ethyl]phenyl]pyridine-2-carboxamide N-[3-[(1R)-1-(propylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.63	6.92	-45.05	3	4	1	59	284.383	6	↓ MOL2 SDF SMILES Flexibase

35643260

Analogs

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Popular Name: 6-methyl-N-[2-[(1R)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide 6-methyl-N-[2-[(1R)-1-(methylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	6.18	-44.63	3	4	1	59	270.356	4	↓ MOL2 SDF SMILES Flexibase

35643263

Analogs

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Popular Name: 6-methyl-N-[2-[(1S)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide 6-methyl-N-[2-[(1S)-1-(methylami…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	6.22	-45.84	3	4	1	59	270.356	4	↓ MOL2 SDF SMILES Flexibase

35643368

Analogs

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Popular Name: N-[2-[(1S)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide N-[2-[(1S)-1-(methylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	5.63	-46.12	3	4	1	59	256.329	4	↓ MOL2 SDF SMILES Flexibase

35643371

Analogs

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Popular Name: N-[2-[(1R)-1-(methylamino)ethyl]phenyl]pyridine-2-carboxamide N-[2-[(1R)-1-(methylamino)ethyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	5.62	-44.75	3	4	1	59	256.329	4	↓ MOL2 SDF SMILES Flexibase

35643646

Analogs

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Popular Name: N-[2-[(1S)-1-(ethylamino)ethyl]phenyl]-6-methyl-pyridine-2-carboxamide N-[2-[(1S)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	7.08	-43.89	3	4	1	59	284.383	5	↓ MOL2 SDF SMILES Flexibase

35643649

Analogs

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Popular Name: N-[2-[(1R)-1-(ethylamino)ethyl]phenyl]-6-methyl-pyridine-2-carboxamide N-[2-[(1R)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.16	7.06	-42.56	3	4	1	59	284.383	5	↓ MOL2 SDF SMILES Flexibase

35643761

Analogs

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Popular Name: N-[2-[(1S)-1-(ethylamino)ethyl]phenyl]pyridine-2-carboxamide N-[2-[(1S)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	6.47	-44.28	3	4	1	59	270.356	5	↓ MOL2 SDF SMILES Flexibase

35643765

Analogs

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Popular Name: N-[2-[(1R)-1-(ethylamino)ethyl]phenyl]pyridine-2-carboxamide N-[2-[(1R)-1-(ethylamino)ethyl]p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	6.46	-42.93	3	4	1	59	270.356	5	↓ MOL2 SDF SMILES Flexibase

11541704

Analogs

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Popular Name: 3,4,5,6-tetrachloro-N-(4-ethylsulfonylphenyl)-pyridine-2-carboxamide 3,4,5,6-tetrachloro-N-(4-ethylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	-4.86	-10.53	1	5	0	76	428.124	4	↓ MOL2 SDF SMILES Flexibase

11541728

Analogs

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Popular Name: 3,6-dichloro-N-(4-ethylsulfonylphenyl)-pyridine-2-carboxamide 3,6-dichloro-N-(4-ethylsulfonylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.94	-4.61	-13.88	1	5	0	76	359.234	4	↓ MOL2 SDF SMILES Flexibase

19433560

Analogs

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Popular Name: 5-methyl-2-(pyridine-2-carbonylamino)benzoic 5-methyl-2-(pyridine-2-carbonyla…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	5.45	-55.03	1	5	-1	82	255.253	3	↓ MOL2 SDF SMILES Flexibase

19433964

Analogs

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Popular Name: N-(4-bromo-3-methyl-phenyl)-6-methyl-pyridine-2-carboxamide N-(4-bromo-3-methyl-phenyl)-6-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.90	6.67	-8.25	1	3	0	42	305.175	2	↓ MOL2 SDF SMILES Flexibase

19434657

Analogs

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Popular Name: N-[3-(N-hydroxy-C-methyl-carbonimidoyl)phenyl]-6-methyl-pyridine-2-carboxamide N-[3-(N-hydroxy-C-methyl-carboni…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	3.82	-16.63	2	5	0	75	269.304	3	↓ MOL2 SDF SMILES Flexibase

19436121

Analogs

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Popular Name: N-[4-(N-hydroxy-C-methyl-carbonimidoyl)phenyl]-6-methyl-pyridine-2-carboxamide N-[4-(N-hydroxy-C-methyl-carboni…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.68	3.82	-12.11	2	5	0	75	269.304	3	↓ MOL2 SDF SMILES Flexibase

19439419

Analogs

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Popular Name: N-(2-cyanoethyl)-N-phenyl-pyridine-2-carboxamide N-(2-cyanoethyl)-N-phenyl-pyridi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.36	8.43	-9.4	0	4	0	57	251.289	4	↓ MOL2 SDF SMILES Flexibase

20000054

Analogs

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Popular Name: 3,6-dichloro-N-ethyl-N-(o-tolyl)pyridine-2-carboxamide 3,6-dichloro-N-ethyl-N-(o-tolyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	9.92	-6.44	0	3	0	33	309.196	3	↓ MOL2 SDF SMILES Flexibase

36139131

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)pyridine-2-carboxamide N-(2-cyano-3-fluoro-phenyl)pyrid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.48	5.26	-9.64	1	4	0	66	241.225	2	↓ MOL2 SDF SMILES Flexibase

20362465

Analogs

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Popular Name: 3,6-dichloro-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide 3,6-dichloro-N-methyl-N-(4-nitro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	8.25	-9.46	0	6	0	79	326.139	3	↓ MOL2 SDF SMILES Flexibase

36157068

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-6-methyl-pyridine-2-carboxamide N-(2-cyano-3-fluoro-phenyl)-6-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.53	5.87	-9.56	1	4	0	66	255.252	2	↓ MOL2 SDF SMILES Flexibase

36158181

Analogs

37991552

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Popular Name: 3,6-dichloro-N-(2-cyano-3-fluoro-phenyl)pyridine-2-carboxamide 3,6-dichloro-N-(2-cyano-3-fluoro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	6.2	-9.24	1	4	0	66	310.115	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.58	4.52	-41.87	0	4	-1	72	309.107	2	↓ MOL2 SDF SMILES Flexibase

36158202

Analogs

37992027

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Popular Name: 4-chloro-N-(2-cyano-3-fluoro-phenyl)pyridine-2-carboxamide 4-chloro-N-(2-cyano-3-fluoro-phe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	5.76	-8.33	1	4	0	66	275.67	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.57	4.09	-43	0	4	-1	72	274.662	2	↓ MOL2 SDF SMILES Flexibase

36158559

Analogs

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Popular Name: 6-[(2-cyano-3-fluoro-phenyl)carbamoyl]pyridine-3-carboxylic 6-[(2-cyano-3-fluoro-phenyl)carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	5.81	-44.8	1	6	-1	106	284.226	3	↓ MOL2 SDF SMILES Flexibase

36158572

Analogs

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Popular Name: 6-[(2-cyano-3-fluoro-phenyl)carbamoyl]pyridine-2-carboxylic 6-[(2-cyano-3-fluoro-phenyl)carb…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.12	5.82	-54.65	1	6	-1	106	284.226	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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