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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-1-isopentyl-N'-(2-methoxyethyl)-4-oxo-pyridine-3,5-dicarboxamide N-[(3-chlorophenyl)methyl]-1-iso…

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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 -0.59 -41.15 2 7 0 89 433.936 10 ↓

Analogs

11814218
11814218

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Popular Name: N-[(3,4-difluorophenyl)methyl]-N'-ethyl-4-oxo-1-sec-butyl-pyridine-3,5-dicarboxamide N-[(3,4-difluorophenyl)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) 1.99 1.46 -41.07 2 6 0 80 391.418 7 ↓

Analogs

11814216
11814216

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Popular Name: N-[(3,4-difluorophenyl)methyl]-N'-ethyl-4-oxo-1-sec-butyl-pyridine-3,5-dicarboxamide N-[(3,4-difluorophenyl)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) 1.99 1.46 -41.15 2 6 0 80 391.418 7 ↓

Analogs

11815348
11815348

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Popular Name: N'-ethyl-4-oxo-1-sec-butyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide N'-ethyl-4-oxo-1-sec-butyl-N-[[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) 2.66 1.57 -40.72 2 7 0 89 439.434 9 ↓

Analogs

11815346
11815346

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Popular Name: N'-ethyl-4-oxo-1-sec-butyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide N'-ethyl-4-oxo-1-sec-butyl-N-[[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) 2.66 1.57 -40.84 2 7 0 89 439.434 9 ↓

Analogs

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Popular Name: N-[(2,5-difluorophenyl)methyl]-1-isopentyl-N'-(2-methoxyethyl)-4-oxo-pyridine-3,5-dicarboxamide N-[(2,5-difluorophenyl)methyl]-1…

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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) 2.01 0.99 -41.94 2 7 0 89 435.471 10 ↓

Analogs

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Popular Name: N-isobutyl-1-isopropyl-N-methyl-4-oxo-N'-(p-tolylmethyl)pyridine-3,5-dicarboxamide N-isobutyl-1-isopropyl-N-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) 2.20 1.92 -40.46 1 6 0 71 397.519 7 ↓

Analogs

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Popular Name: N-[(2,6-difluorophenyl)methyl]-N'-isobutyl-1-isopropyl-N'-methyl-4-oxo-pyridine-3,5-dicarboxamide N-[(2,6-difluorophenyl)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) 1.98 3.11 -44.91 1 6 0 71 419.472 7 ↓

Analogs

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Popular Name: N-tert-butyl-1-isopropyl-4-oxo-N'-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide N-tert-butyl-1-isopropyl-4-oxo-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) 3.01 2.18 -39.46 2 7 0 89 453.461 8 ↓

Analogs

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Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-N'-isobutyl-1-isopropyl-4-oxo-pyridine-3,5-dicarboxamide N-[(3,4-dimethoxyphenyl)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) 1.63 0.77 -42.79 2 8 0 99 429.517 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-difluorophenyl)methyl]-1-isopentyl-N'-(2-methoxyethyl)-4-oxo-pyridine-3,5-dicarboxamide N-[(3,4-difluorophenyl)methyl]-1…

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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) 2.01 1.03 -42.57 2 7 0 89 435.471 10 ↓

Analogs

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Popular Name: N-tert-butyl-N'-[(2,3-dimethoxyphenyl)methyl]-1-isopropyl-4-oxo-pyridine-3,5-dicarboxamide N-tert-butyl-N'-[(2,3-dimethoxyp…

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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 1.15 -41.34 2 8 0 99 429.517 8 ↓

Analogs

12038993
12038993

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Popular Name: N-[(4-chlorophenyl)methyl]-N'-ethyl-4-oxo-1-sec-butyl-pyridine-3,5-dicarboxamide N-[(4-chlorophenyl)methyl]-N'-et…

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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 -0.16 -39.48 2 6 0 80 389.883 7 ↓

Analogs

12038990
12038990

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Popular Name: N-[(4-chlorophenyl)methyl]-N'-ethyl-4-oxo-1-sec-butyl-pyridine-3,5-dicarboxamide N-[(4-chlorophenyl)methyl]-N'-et…

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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 -0.16 -39.48 2 6 0 80 389.883 7 ↓

Analogs

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Popular Name: N'-ethyl-N-[(4-fluorophenyl)methyl]-1-isobutyl-4-oxo-pyridine-3,5-dicarboxamide N'-ethyl-N-[(4-fluorophenyl)meth…

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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) 1.78 0.67 -41.57 2 6 0 80 373.428 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N'-isobutyl-1-isopropyl-N'-methyl-4-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxa N'-isobutyl-1-isopropyl-N'-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) 2.70 3.13 -40.18 1 7 0 81 467.488 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopentyl-N-methyl-N'-(o-tolylmethyl)-4-oxo-pyridine-3,5-dicarboxamide 1-isopentyl-N-methyl-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 (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 0.65 -42.21 2 6 0 80 369.465 7 ↓

Parameters Provided:

ring.id = 47135
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 = 47135 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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