1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide

C21H19ClN2O2 — CID 16573910

IUPAC1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C21H19ClN2O2/c22-19-9-5-4-8-17(19)14-24-15-18(10-11-20(24)25)21(26)23-13-12-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,23,26)
InChIKeyYKRSJBAHQRQOHS-UHFFFAOYSA-N
MW366.85 g/mol
LogP3.52
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 16573910) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID16573910
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C21H19ClN2O2/c22-19-9-5-4-8-17(19)14-24-15-18(10-11-20(24)25)21(26)23-13-12-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,23,26)
InChIKeyYKRSJBAHQRQOHS-UHFFFAOYSA-N
XLogP3.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-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'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 112837119
1-[(2-chlorophenyl)methyl]-6-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 18128601
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
1-[(2-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 16573885
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride
CID 119537978
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 112842807
1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide
CID 16574521
1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119454148
N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide
CID 24550444
1-[(2-chlorophenyl)methyl]-N-methyl-6-oxo-N-phenylpyridine-3-carboxamide
CID 24559383

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide (CID 16573910) is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is YKRSJBAHQRQOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-19-9-5-4-8-17(19)14-24-15-18(10-11-20(24)25)21(26)23-13-12-16-6-2-1-3-7-16/h1-11,15H,12-14H2,(H,23,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 16573910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).