N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide

C20H20N4O2 — CID 157281845

IUPACN-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)Cc2cn[nH]c2)cc([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-13(15-6-4-3-5-7-15)17-9-16(10-18(24-17)20(26)21-2)19(25)8-14-11-22-23-12-14/h3-7,9-13H,8H2,1-2H3,(H,21,26)(H,22,23)/t13-/m0/s1
InChIKeyAZTHWDPXDNNNGV-ZDUSSCGKSA-N
MW348.41 g/mol
LogP2.74
Rot. Bonds6

About N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide

N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide (PubChem CID 157281845) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide
PubChem CID157281845
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)Cc2cn[nH]c2)cc([C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O2/c1-13(15-6-4-3-5-7-15)17-9-16(10-18(24-17)20(26)21-2)19(25)8-14-11-22-23-12-14/h3-7,9-13H,8H2,1-2H3,(H,21,26)(H,22,23)/t13-/m0/s1
InChIKeyAZTHWDPXDNNNGV-ZDUSSCGKSA-N
XLogP2.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-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

N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 149474637
N-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 159053138
N-methyl-4-[4-(1,2-oxazol-4-yl)butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 161310396
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 158532323
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 158532324
4-formyl-N-methyl-6-(1-phenylethyl)pyridine-2-carboxamide
CID 131997086
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131997225
2-N-methyl-6-(1-phenylethyl)-4-N-propylpyridine-2,4-dicarboxamide;N-[(Z)-prop-1-enyl]propan-2-imine
CID 142417875
6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide
CID 159754646
tert-butyl 2-[hydroxy(methylamino)methyl]-6-[(1S)-1-[3-[2-methyl-2-[2-(methylcarbamoyl)-6-[(1R)-1-phenylethyl]pyridine-4-carbonyl]oxypropyl]phenyl]ethyl]pyridine-4-carboxylate
CID 155238212
4-N-[3-(1,3-dioxan-2-yl)propyl]-2-N-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide;isoindole-1,3-dione
CID 145379851

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide (CID 157281845) is N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)Cc2cn[nH]c2)cc([C@@H](C)c2ccccc2)n1.
What is the InChIKey of N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide?
The InChIKey is AZTHWDPXDNNNGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(15-6-4-3-5-7-15)17-9-16(10-18(24-17)20(26)21-2)19(25)8-14-11-22-23-12-14/h3-7,9-13H,8H2,1-2H3,(H,21,26)(H,22,23)/t13-/m0/s1.
What are the key properties of N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide?
N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(1S)-1-phenylethyl]-4-[2-(1H-pyrazol-4-yl)acetyl]pyridine-2-carboxamide is sourced from PubChem (CID 157281845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).