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Analogs

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Popular Name: 5-bromo-N-[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]pyridine-3-carboxamide 5-bromo-N-[(1S)-3-(4-hydroxyphen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 5.15 -10.35 2 4 0 62 349.228 5 ↓

Analogs

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Popular Name: 5-bromo-N-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]pyridine-3-carboxamide 5-bromo-N-[(1R)-3-(4-hydroxyphen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 5.15 -10.38 2 4 0 62 349.228 5 ↓

Analogs

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Popular Name: N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide N-[3-(4-methoxyphenyl)propyl]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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 5.71 -10.58 1 4 0 51 270.332 6 ↓

Analogs

3938226
3938226

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Popular Name: N-(2-dimethylaminoethyl)-N-(3-phenylpropyl)pyridine-3-carboxamide N-(2-dimethylaminoethyl)-N-(3-ph…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.02 10.11 -43.33 1 4 1 38 312.437 8 ↓
Hi High (pH 8-9.5) 2.02 7.63 -9.05 0 4 0 36 311.429 8 ↓

Analogs

14260369
14260369

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Popular Name: N-[(1S)-1-methyl-3-phenyl-propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-[(1S)-1-methyl-3-phenyl-propyl…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 7.3 -9.57 1 4 0 51 352.356 8 ↓

Analogs

14260368
14260368

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Popular Name: N-[(1R)-1-methyl-3-phenyl-propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide N-[(1R)-1-methyl-3-phenyl-propyl…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 7.3 -9.56 1 4 0 51 352.356 8 ↓

Analogs

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Popular Name: 2-oxo-N-[(3S)-3-phenylbutyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide 2-oxo-N-[(3S)-3-phenylbutyl]-6-(…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 6.09 -53.68 1 4 -1 65 337.321 6 ↓
Lo Low (pH 4.5-6) 3.35 6.64 -9.29 2 4 0 62 338.329 6 ↓

Analogs

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Popular Name: 2-oxo-N-[(3R)-3-phenylbutyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide 2-oxo-N-[(3R)-3-phenylbutyl]-6-(…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.80 6.09 -53.65 1 4 -1 65 337.321 6 ↓
Lo Low (pH 4.5-6) 3.35 6.64 -9.3 2 4 0 62 338.329 6 ↓

Analogs

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Popular Name: methyl methyl

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 4.58 -17.43 2 6 0 89 348.786 7 ↓

Analogs

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Popular Name: methyl methyl

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.42 4.58 -17.4 2 6 0 89 348.786 7 ↓

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-3-phenyl-propyl]-2-ethoxy-pyridine-3-carboxamide N-[(2R)-2-(dimethylamino)-3-phen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.75 -48.35 2 5 1 56 328.436 8 ↓
Hi High (pH 8-9.5) 2.44 5.75 -13.07 1 5 0 54 327.428 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-2-ethoxy-pyridine-3-carboxamide N-[(2S)-2-(dimethylamino)-3-phen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 8.8 -48.59 2 5 1 56 328.436 8 ↓
Hi High (pH 8-9.5) 2.44 6.38 -13.12 1 5 0 54 327.428 8 ↓

Analogs

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Popular Name: N-[(2S)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxo-propyl]-6-methyl-pyridine-3-carboxamide N-[(2S)-3-amino-2-[(4-ethoxyphen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 3.82 -15.6 3 6 0 94 341.411 8 ↓

Analogs

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Popular Name: N-[(2R)-3-amino-2-[(4-ethoxyphenyl)methyl]-3-oxo-propyl]-6-methyl-pyridine-3-carboxamide N-[(2R)-3-amino-2-[(4-ethoxyphen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 3.77 -15.28 3 6 0 94 341.411 8 ↓

Analogs

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Popular Name: 6-fluoro-N-(3-phenylpropyl)pyridine-3-carboxamide 6-fluoro-N-(3-phenylpropyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.72 6.33 -8.72 1 3 0 42 258.296 5 ↓

Analogs

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Popular Name: 6-fluoro-N-[(1S)-1-methyl-3-phenyl-propyl]pyridine-3-carboxamide 6-fluoro-N-[(1S)-1-methyl-3-phen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 7.34 -8.7 1 3 0 42 272.323 5 ↓

Analogs

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Popular Name: 6-fluoro-N-[(1R)-1-methyl-3-phenyl-propyl]pyridine-3-carboxamide 6-fluoro-N-[(1R)-1-methyl-3-phen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.05 7.34 -8.69 1 3 0 42 272.323 5 ↓

Analogs

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Popular Name: N-(2-dimethylaminoethyl)-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide N-(2-dimethylaminoethyl)-6-methy…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.07 10.89 -56.98 1 4 1 38 326.464 8 ↓
Hi High (pH 8-9.5) 2.07 8.42 -9.85 0 4 0 36 325.456 8 ↓

Analogs

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Popular Name: N-[(2R)-2-[(2,4-dichlorophenyl)methyl]-3-methyl-butyl]-2-thioxo-1H-pyridine-3-carboxamide N-[(2R)-2-[(2,4-dichlorophenyl)m…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.91 9.9 -59.31 1 3 -1 42 382.336 6 ↓
Mid Mid (pH 6-8) 5.91 9.37 -12.7 1 3 0 42 383.344 6 ↓

Analogs

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Popular Name: N-[(2S)-2-[(2,4-dichlorophenyl)methyl]-3-methyl-butyl]-2-thioxo-1H-pyridine-3-carboxamide N-[(2S)-2-[(2,4-dichlorophenyl)m…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.91 10.23 -58.83 1 3 -1 42 382.336 6 ↓
Mid Mid (pH 6-8) 5.91 9.69 -11.57 1 3 0 42 383.344 6 ↓

Analogs

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Popular Name: N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxo-propyl]-2-methoxy-pyridine-3-carboxamide N-[(2S)-3-amino-2-[(4-fluorophen…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.31 2.78 -22.6 3 6 0 94 331.347 7 ↓

Analogs

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Popular Name: 5-bromo-N-[(2S)-2-(diethylamino)-3-phenyl-propyl]pyridine-3-carboxamide 5-bromo-N-[(2S)-2-(diethylamino)…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 8.93 -40.36 2 4 1 46 391.333 8 ↓
Hi High (pH 8-9.5) 3.42 7.76 -6.41 1 4 0 45 390.325 8 ↓

Analogs

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Popular Name: 5-bromo-N-[(2R)-2-(diethylamino)-3-phenyl-propyl]pyridine-3-carboxamide 5-bromo-N-[(2R)-2-(diethylamino)…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.42 9.93 -41.2 2 4 1 46 391.333 8 ↓
Hi High (pH 8-9.5) 3.42 8.12 -6.27 1 4 0 45 390.325 8 ↓

Analogs

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Popular Name: N-[(2S)-2-(diethylamino)-3-phenyl-propyl]-6-methyl-pyridine-3-carboxamide N-[(2S)-2-(diethylamino)-3-pheny…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 8.94 -38.4 2 4 1 46 326.464 8 ↓
Hi High (pH 8-9.5) 2.52 7.77 -7.36 1 4 0 45 325.456 8 ↓

Analogs

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Popular Name: N-[(2R)-2-(diethylamino)-3-phenyl-propyl]-6-methyl-pyridine-3-carboxamide N-[(2R)-2-(diethylamino)-3-pheny…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 9.93 -39.35 2 4 1 46 326.464 8 ↓
Hi High (pH 8-9.5) 2.52 8.13 -7.23 1 4 0 45 325.456 8 ↓

Analogs

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Popular Name: 5-(3-phenylpropylcarbamoyl)pyridine-2-carboxylic 5-(3-phenylpropylcarbamoyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.86 6.96 -49.65 1 5 -1 82 283.307 6 ↓

Analogs

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Popular Name: 2-(isopropylamino)-N-(3-phenylpropyl)pyridine-3-carboxamide 2-(isopropylamino)-N-(3-phenylpr…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.04 8.38 -9.26 2 4 0 54 297.402 7 ↓
Lo Low (pH 4.5-6) 3.04 8.71 -34.76 3 4 1 55 298.41 7 ↓

Analogs

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Popular Name: N-(2-methoxyethyl)-2,6-dimethyl-N-(3-phenylpropyl)pyridine-3-carboxamide N-(2-methoxyethyl)-2,6-dimethyl-…

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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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 9.52 -10.96 0 4 0 42 326.44 8 ↓
Lo Low (pH 4.5-6) 2.41 9.88 -35.99 1 4 1 44 327.448 8 ↓

Parameters Provided:

ring.id = 4637
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 4637 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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