N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide

C25H22N2O3 — CID 70358096

IUPACN-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2C)c(-c2ccco2)[nH]1
InChIInChI=1S/C25H22N2O3/c1-17-9-6-7-12-20(17)27(16-19-10-4-3-5-11-19)25(29)23-21(28)15-18(2)26-24(23)22-13-8-14-30-22/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyNUKNOLMHXAYOMS-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.10
Rot. Bonds5

About N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide

N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 70358096) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID70358096
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2C)c(-c2ccco2)[nH]1
InChIInChI=1S/C25H22N2O3/c1-17-9-6-7-12-20(17)27(16-19-10-4-3-5-11-19)25(29)23-21(28)15-18(2)26-24(23)22-13-8-14-30-22/h3-15H,16H2,1-2H3,(H,26,28)
InChIKeyNUKNOLMHXAYOMS-UHFFFAOYSA-N
XLogP5.10
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide (CID 70358096) is N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2C)c(-c2ccco2)[nH]1.
What is the InChIKey of N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NUKNOLMHXAYOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17-9-6-7-12-20(17)27(16-19-10-4-3-5-11-19)25(29)23-21(28)15-18(2)26-24(23)22-13-8-14-30-22/h3-15H,16H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide?
N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70358096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).