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1576406
1576406

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Popular Name: USAN) USAN)

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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) 2.57 4.69 -10.97 3 6 0 92 336.775 7 ↓

Analogs

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Popular Name: 6-(3-bromo-4-methyl-anilino)pyridine-3-carboxylic 6-(3-bromo-4-methyl-anilino)pyri…

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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) 3.79 8.48 -46.42 1 4 -1 65 306.139 3 ↓
Lo Low (pH 4.5-6) 3.79 8.04 -40.81 2 4 0 66 307.147 3 ↓

Analogs

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Popular Name: 4-(aminomethyl)-N-ethyl-N-(m-tolyl)pyridin-2-amine 4-(aminomethyl)-N-ethyl-N-(m-tol…

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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) 2.78 7.27 -51.08 3 3 1 44 242.346 4 ↓
Hi High (pH 8-9.5) 2.78 6.88 -6.23 2 3 0 42 241.338 4 ↓

Analogs

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Popular Name: 5-(aminomethyl)-N-ethyl-N-(m-tolyl)pyridin-2-amine 5-(aminomethyl)-N-ethyl-N-(m-tol…

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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) 2.83 7.26 -47.75 3 3 1 44 242.346 4 ↓
Mid Mid (pH 6-8) 2.83 6.97 -110.54 4 3 2 45 243.354 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-ethyl-N-(m-tolyl)pyridin-2-amine 3-(aminomethyl)-N-ethyl-N-(m-tol…

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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) 2.78 6.7 -46.53 3 3 1 44 242.346 4 ↓
Mid Mid (pH 6-8) 2.78 7.2 -102.37 4 3 2 45 243.354 4 ↓

Analogs

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Popular Name: N2-ethyl-6-methoxy-N2-(m-tolyl)pyridine-2,5-diamine N2-ethyl-6-methoxy-N2-(m-tolyl)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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.47 5.84 -6.8 2 4 0 51 257.337 4 ↓

Analogs

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Popular Name: 5-amino-2-(N-ethyl-3-methyl-anilino)pyridine-3-carbonitrile 5-amino-2-(N-ethyl-3-methyl-anil…

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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) 2.97 6.98 -8.94 2 4 0 66 252.321 3 ↓

Analogs

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Popular Name: 6-(N-ethyl-3-methyl-anilino)-N'-hydroxy-pyridine-3-carboxamidine 6-(N-ethyl-3-methyl-anilino)-N'-…

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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) 1.96 6.1 -7.99 3 5 0 75 270.336 4 ↓
Lo Low (pH 4.5-6) 1.96 5.79 -33.87 4 5 1 76 271.344 4 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)-N'-hydroxy-pyridine-3-carboxamidine 2-(N-ethyl-3-methyl-anilino)-N'-…

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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) 1.90 6.13 -9.67 3 5 0 75 270.336 4 ↓
Lo Low (pH 4.5-6) 1.90 6.59 -36.74 4 5 1 76 271.344 4 ↓

Analogs

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Popular Name: 6-(N-ethyl-3-methyl-anilino)pyridine-3-carboxamidine 6-(N-ethyl-3-methyl-anilino)pyri…

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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) 2.03 7.11 -34.99 4 4 1 68 255.345 4 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)pyridine-4-carboxamidine 2-(N-ethyl-3-methyl-anilino)pyri…

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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) 1.98 6.84 -99.24 5 4 2 69 256.353 4 ↓
Mid Mid (pH 6-8) 1.98 7.15 -38.28 4 4 1 68 255.345 4 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)pyridine-3-carboxamidine 2-(N-ethyl-3-methyl-anilino)pyri…

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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) 1.98 6.38 -34.57 4 4 1 68 255.345 4 ↓
Mid Mid (pH 6-8) 1.98 7.16 -8.76 3 4 0 66 254.337 4 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)pyridine-4-carbonitrile 2-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.35 9.65 -6.39 0 3 0 40 237.306 3 ↓

Analogs

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Popular Name: 6-(N-ethyl-3-methyl-anilino)pyridine-3-carbonitrile 6-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.40 9.65 -7.36 0 3 0 40 237.306 3 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)pyridine-3-carbonitrile 2-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.35 9.12 -9.17 0 3 0 40 237.306 3 ↓

Analogs

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Popular Name: 6-(N-ethyl-3-methyl-anilino)pyridine-3-carbothioamide 6-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.44 8.47 -12.82 2 3 0 42 271.389 4 ↓
Lo Low (pH 4.5-6) 3.44 8.15 -42.74 3 3 1 43 272.397 4 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)pyridine-4-carbothioamide 2-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.39 8.48 -13.27 2 3 0 42 271.389 4 ↓
Lo Low (pH 4.5-6) 3.39 8.16 -45.63 3 3 1 43 272.397 4 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)pyridine-3-carbothioamide 2-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.39 7.82 -13.92 2 3 0 42 271.389 4 ↓
Lo Low (pH 4.5-6) 3.39 8.29 -43.75 3 3 1 43 272.397 4 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)pyridine-4-carboxylic 2-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.50 9.81 -47.81 0 4 -1 56 255.297 4 ↓
Mid Mid (pH 6-8) 3.50 9.51 -41.45 1 4 0 58 256.305 4 ↓

Analogs

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Popular Name: 6-(N-ethyl-3-methyl-anilino)pyridine-3-carboxylic 6-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.22 9.8 -49.35 0 4 -1 56 255.297 4 ↓
Mid Mid (pH 6-8) 3.22 9.49 -33.18 1 4 0 58 256.305 4 ↓

Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)pyridine-3-carboxylic 2-(N-ethyl-3-methyl-anilino)pyri…

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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) 3.16 9.48 -51.25 0 4 -1 56 255.297 4 ↓
Mid Mid (pH 6-8) 3.16 9.92 -45.56 1 4 0 58 256.305 4 ↓

Analogs

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Popular Name: 3-chloro-6-(N-ethyl-3-methyl-anilino)pyridine-2-carboxylic 3-chloro-6-(N-ethyl-3-methyl-ani…

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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) 4.30 10.2 -54.83 0 4 -1 56 289.742 4 ↓
Lo Low (pH 4.5-6) 4.30 9.86 -29.77 1 4 0 58 290.75 4 ↓

Analogs

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Popular Name: 6-chloro-N-ethyl-N-(m-tolyl)-3-nitro-pyridin-2-amine 6-chloro-N-ethyl-N-(m-tolyl)-3-n…

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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) 4.57 10 -7.87 0 5 0 62 291.738 4 ↓

Analogs

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Popular Name: 2-(2-fluoroanilino)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxamide 2-(2-fluoroanilino)-N-[2-oxo-2-(…

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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) 2.06 5.47 -13.72 3 6 0 83 326.331 6 ↓

Analogs

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Popular Name: N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridin-2-amine N-ethyl-6-(ethylaminomethyl)-N-(…

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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) 3.36 7.97 -5.44 1 3 0 28 273.355 6 ↓
Mid Mid (pH 6-8) 3.36 9.35 -35.77 2 3 1 33 274.363 6 ↓
Lo Low (pH 4.5-6) 3.36 8.99 -110.13 3 3 2 34 275.371 6 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-6-(methylaminomethyl)pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.98 7.04 -7.84 1 3 0 28 259.328 5 ↓
Mid Mid (pH 6-8) 2.98 8.49 -36.34 2 3 1 33 260.336 5 ↓
Lo Low (pH 4.5-6) 2.98 6.69 -27.87 2 3 1 29 260.336 5 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-6-(propylaminomethyl)pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-6-(pr…

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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) 3.86 8.73 -5.3 1 3 0 28 287.382 7 ↓
Mid Mid (pH 6-8) 3.86 10.1 -36.46 2 3 1 33 288.39 7 ↓
Lo Low (pH 4.5-6) 3.86 9.75 -112.38 3 3 2 34 289.398 7 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-6-[(isopropylamino)methyl]pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-6-[(i…

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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) 3.66 8.68 -7.4 1 3 0 28 287.382 6 ↓
Mid Mid (pH 6-8) 3.66 9.86 -34.31 2 3 1 33 288.39 6 ↓
Lo Low (pH 4.5-6) 3.66 9.54 -105.04 3 3 2 34 289.398 6 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-3-[(isopropylamino)methyl]pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-3-[(i…

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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) 3.54 9.39 -40.04 2 3 1 33 288.39 6 ↓
Lo Low (pH 4.5-6) 3.54 9.84 -99.97 3 3 2 34 289.398 6 ↓

Analogs

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Popular Name: 5-chloro-N-ethyl-N-(3-fluorophenyl)-6-(methylaminomethyl)pyridin-2-amine 5-chloro-N-ethyl-N-(3-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) 4.00 8.89 -32.9 2 3 1 33 294.781 5 ↓
Hi High (pH 8-9.5) 4.00 7.45 -6.94 1 3 0 28 293.773 5 ↓

Analogs

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Popular Name: 5-chloro-N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridin-2-amine 5-chloro-N-ethyl-6-(ethylaminome…

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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) 4.38 9.74 -31.99 2 3 1 33 308.808 6 ↓
Hi High (pH 8-9.5) 4.38 8.37 -6.14 1 3 0 28 307.8 6 ↓

Analogs

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Popular Name: 3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)pyridin-2-amine 3-chloro-N-ethyl-5-(ethylaminome…

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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) 3.90 9.36 -47.53 2 3 1 33 308.808 6 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-4-(methylaminomethyl)pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-4-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.86 8.55 -46.51 2 3 1 33 260.336 5 ↓
Hi High (pH 8-9.5) 2.86 7.1 -6.55 1 3 0 28 259.328 5 ↓

Analogs

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Popular Name: N-ethyl-4-(ethylaminomethyl)-N-(3-fluorophenyl)pyridin-2-amine N-ethyl-4-(ethylaminomethyl)-N-(…

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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) 3.24 9.4 -46.13 2 3 1 33 274.363 6 ↓
Hi High (pH 8-9.5) 3.24 8.03 -5.68 1 3 0 28 273.355 6 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-4-(propylaminomethyl)pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-4-(pr…

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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) 3.74 10.15 -47.07 2 3 1 33 288.39 7 ↓
Hi High (pH 8-9.5) 3.74 8.79 -5.52 1 3 0 28 287.382 7 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-4-[(isopropylamino)methyl]pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-4-[(i…

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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) 3.54 9.94 -44.05 2 3 1 33 288.39 6 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-4,6-d…

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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) 3.68 9.78 -97.47 3 3 2 34 289.398 5 ↓
Mid Mid (pH 6-8) 3.68 9.34 -43.92 2 3 1 33 288.39 5 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-5-(methylaminomethyl)pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-5-(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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 8.53 -42.92 2 3 1 33 260.336 5 ↓
Lo Low (pH 4.5-6) 2.92 8.22 -105.59 3 3 2 34 261.344 5 ↓

Analogs

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Popular Name: N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)pyridin-2-amine N-ethyl-5-(ethylaminomethyl)-N-(…

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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) 3.29 9.38 -42.02 2 3 1 33 274.363 6 ↓
Lo Low (pH 4.5-6) 3.29 9.08 -106.13 3 3 2 34 275.371 6 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-5-(propylaminomethyl)pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-5-(pr…

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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 10.14 -42.9 2 3 1 33 288.39 7 ↓
Lo Low (pH 4.5-6) 3.80 9.83 -108.3 3 3 2 34 289.398 7 ↓

Analogs

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Popular Name: N-ethyl-N-(3-fluorophenyl)-5-[(isopropylamino)methyl]pyridin-2-amine N-ethyl-N-(3-fluorophenyl)-5-[(i…

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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) 3.59 9.92 -40.55 2 3 1 33 288.39 6 ↓
Lo Low (pH 4.5-6) 3.59 9.61 -105.38 3 3 2 34 289.398 6 ↓

Analogs

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Popular Name: 3-chloro-N-ethyl-N-(3-fluorophenyl)-5-(methylaminomethyl)pyridin-2-amine 3-chloro-N-ethyl-N-(3-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) 3.52 8.52 -48.16 2 3 1 33 294.781 5 ↓

Analogs

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Popular Name: 5-bromo-N-ethyl-N-(3-fluorophenyl)-3-(methylaminomethyl)pyridin-2-amine 5-bromo-N-ethyl-N-(3-fluoropheny…

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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) 3.82 8.61 -43.95 2 3 1 33 339.232 5 ↓

Analogs

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Popular Name: 5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(3-fluorophenyl)pyridin-2-amine 5-bromo-N-ethyl-3-(ethylaminomet…

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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) 4.20 9.42 -40.89 2 3 1 33 353.259 6 ↓

Analogs

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Popular Name: N-methyl-6-(methylaminomethyl)-N-(p-tolyl)pyridin-2-amine N-methyl-6-(methylaminomethyl)-N…

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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) 2.92 7.47 -39.98 2 3 1 33 242.346 4 ↓
Hi High (pH 8-9.5) 2.92 6.02 -7.27 1 3 0 28 241.338 4 ↓
Lo Low (pH 4.5-6) 2.92 6.44 -26.82 2 3 1 29 242.346 4 ↓

Analogs

43395455
43395455

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Popular Name: N-methyl-3-(methylaminomethyl)-N-(p-tolyl)pyridin-2-amine N-methyl-3-(methylaminomethyl)-N…

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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) 2.80 7.73 -40.85 2 3 1 33 242.346 4 ↓
Mid Mid (pH 6-8) 2.80 8.2 -96.56 3 3 2 34 243.354 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(ethylaminomethyl)-N-methyl-N-(p-tolyl)pyridin-2-amine 3-(ethylaminomethyl)-N-methyl-N-…

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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) 3.17 8.54 -36.76 2 3 1 33 256.373 5 ↓
Mid Mid (pH 6-8) 3.17 9.01 -92.94 3 3 2 34 257.381 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-(propylaminomethyl)-N-(p-tolyl)pyridin-2-amine N-methyl-3-(propylaminomethyl)-N…

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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) 3.68 9.3 -37.16 2 3 1 33 270.4 6 ↓
Mid Mid (pH 6-8) 3.68 9.78 -94.38 3 3 2 34 271.408 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(isopropylamino)methyl]-N-methyl-N-(p-tolyl)pyridin-2-amine 3-[(isopropylamino)methyl]-N-met…

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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) 3.47 9.14 -38.15 2 3 1 33 270.4 5 ↓
Mid Mid (pH 6-8) 3.47 9.59 -95.01 3 3 2 34 271.408 5 ↓

Analogs

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Popular Name: 3-[(tert-butylamino)methyl]-N-methyl-N-(p-tolyl)pyridin-2-amine 3-[(tert-butylamino)methyl]-N-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.98 9.53 -36.2 2 3 1 33 284.427 5 ↓
Mid Mid (pH 6-8) 3.98 10 -93.84 3 3 2 34 285.435 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

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