1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide

C26H21ClN2O2 — CID 14277848

IUPAC1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2)c(-c2ccccc2Cl)n1Cc1ccccc1
InChIInChI=1S/C26H21ClN2O2/c1-18-16-23(30)24(26(31)28-20-12-6-3-7-13-20)25(21-14-8-9-15-22(21)27)29(18)17-19-10-4-2-5-11-19/h2-16H,17H2,1H3,(H,28,31)
InChIKeyNVRYJPBLDYSALE-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.78
Rot. Bonds5

About 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide

1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 14277848) has the molecular formula C26H21ClN2O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide
PubChem CID14277848
Molecular FormulaC26H21ClN2O2
Molecular Weight428.92 g/mol
Exact Mass428.13
IUPAC Name1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2)c(-c2ccccc2Cl)n1Cc1ccccc1
InChIInChI=1S/C26H21ClN2O2/c1-18-16-23(30)24(26(31)28-20-12-6-3-7-13-20)25(21-14-8-9-15-22(21)27)29(18)17-19-10-4-2-5-11-19/h2-16H,17H2,1H3,(H,28,31)
InChIKeyNVRYJPBLDYSALE-UHFFFAOYSA-N
XLogP5.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide (CID 14277848) is 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2)c(-c2ccccc2Cl)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is NVRYJPBLDYSALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O2/c1-18-16-23(30)24(26(31)28-20-12-6-3-7-13-20)25(21-14-8-9-15-22(21)27)29(18)17-19-10-4-2-5-11-19/h2-16H,17H2,1H3,(H,28,31).
What are the key properties of 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide?
1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-chlorophenyl)-6-methyl-4-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 14277848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).