6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide

C40H40N8O6 — CID 158377522

IUPAC6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)Cc2cnn(C)c2)cc([C@@H](O)c2ccccc2)n1.CNC(=O)c1cc(C(=O)Cc2cnn(C)c2)cc([C@H](O)c2ccccc2)n1
InChIInChI=1S/2C20H20N4O3/c2*1-21-20(27)17-10-15(18(25)8-13-11-22-24(2)12-13)9-16(23-17)19(26)14-6-4-3-5-7-14/h2*3-7,9-12,19,26H,8H2,1-2H3,(H,21,27)/t2*19-/m10/s1
InChIKeyGVJQVKHPLSCJTC-OYPHMNEHSA-N
MW728.81 g/mol
LogP3.36
Rot. Bonds12

About 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide

6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide (PubChem CID 158377522) has the molecular formula C40H40N8O6 and a molecular weight of 728.81 g/mol. Its IUPAC name is 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide
PubChem CID158377522
Molecular FormulaC40H40N8O6
Molecular Weight728.81 g/mol
Exact Mass728.31
IUPAC Name6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)Cc2cnn(C)c2)cc([C@@H](O)c2ccccc2)n1.CNC(=O)c1cc(C(=O)Cc2cnn(C)c2)cc([C@H](O)c2ccccc2)n1
InChIInChI=1S/2C20H20N4O3/c2*1-21-20(27)17-10-15(18(25)8-13-11-22-24(2)12-13)9-16(23-17)19(26)14-6-4-3-5-7-14/h2*3-7,9-12,19,26H,8H2,1-2H3,(H,21,27)/t2*19-/m10/s1
InChIKeyGVJQVKHPLSCJTC-OYPHMNEHSA-N
XLogP3.36
TPSA194.22 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.81
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[hydroxy-[4-[[1-methyl-5-(2-piperidin-1-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]phenyl]methyl]benzoyl]amino]-1-methyl-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
CID 44234399
N-[2-[2-(1-hydroxyethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177049993
N-[(4S)-2-[2-(hydroxymethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 177050010
N-ethyl-5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-3-methylpyridine-2-carboxamide
CID 147846243
4-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
CID 148416116
5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide
CID 148970476
2-N-methyl-5-N-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethyl]pyridine-2,5-dicarboxamide;5-[2-[[1-phenyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]ethylcarbamoyl]pyridine-2-carboxylic acid
CID 157388979
5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N,3-dimethylpyridine-2-carboxamide
CID 157479683
5-[5-[3-[(4R,5R)-5-(5,6-difluoro-3-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
CID 157703737
5-[5-[3-[(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
CID 158063344
5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-methylpyridine-2-carboxamide
CID 159367425
5-[5-[3-[(4R,5R)-5-(2-fluoro-4-pyridinyl)-2-(2-methoxyethyl)-1,2-oxazolidin-4-yl]-2-oxopropyl]-4-methyl-1-phenylpyrazol-3-yl]-N-(2-methoxyethyl)-3-methylpyridine-2-carboxamide
CID 160585727

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide (CID 158377522) is 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)Cc2cnn(C)c2)cc([C@@H](O)c2ccccc2)n1.CNC(=O)c1cc(C(=O)Cc2cnn(C)c2)cc([C@H](O)c2ccccc2)n1.
What is the InChIKey of 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide?
The InChIKey is GVJQVKHPLSCJTC-OYPHMNEHSA-N. The full InChI is InChI=1S/2C20H20N4O3/c2*1-21-20(27)17-10-15(18(25)8-13-11-22-24(2)12-13)9-16(23-17)19(26)14-6-4-3-5-7-14/h2*3-7,9-12,19,26H,8H2,1-2H3,(H,21,27)/t2*19-/m10/s1.
What are the key properties of 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide?
6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide has a molecular weight of 728.81 g/mol, XLogP of 3.36, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide;6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[2-(1-methylpyrazol-4-yl)acetyl]pyridine-2-carboxamide is sourced from PubChem (CID 158377522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).