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

C27H24N2O2 — CID 14252502

IUPAC1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(-c2ccccc2)n(Cc2ccccc2)c(C)cc1=O
InChIInChI=1S/C27H24N2O2/c1-19-11-9-10-16-23(19)28-27(31)25-24(30)17-20(2)29(18-21-12-5-3-6-13-21)26(25)22-14-7-4-8-15-22/h3-17H,18H2,1-2H3,(H,28,31)
InChIKeyVRLORQXJNAEPCG-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.43
Rot. Bonds5

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

1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide (PubChem CID 14252502) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
PubChem CID14252502
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(-c2ccccc2)n(Cc2ccccc2)c(C)cc1=O
InChIInChI=1S/C27H24N2O2/c1-19-11-9-10-16-23(19)28-27(31)25-24(30)17-20(2)29(18-21-12-5-3-6-13-21)26(25)22-14-7-4-8-15-22/h3-17H,18H2,1-2H3,(H,28,31)
InChIKeyVRLORQXJNAEPCG-UHFFFAOYSA-N
XLogP5.43
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide?
The IUPAC name of 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide (CID 14252502) is 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide is Cc1ccccc1NC(=O)c1c(-c2ccccc2)n(Cc2ccccc2)c(C)cc1=O.
What is the InChIKey of 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide?
The InChIKey is VRLORQXJNAEPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-19-11-9-10-16-23(19)28-27(31)25-24(30)17-20(2)29(18-21-12-5-3-6-13-21)26(25)22-14-7-4-8-15-22/h3-17H,18H2,1-2H3,(H,28,31).
What are the key properties of 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide?
1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methyl-N-(2-methylphenyl)-4-oxo-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 14252502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).