6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C25H22N4O2 — CID 23040556

IUPAC6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(-c2cccnc2)n(Cc2ccccn2)c(C)cc1=O
InChIInChI=1S/C25H22N4O2/c1-17-8-3-4-11-21(17)28-25(31)23-22(30)14-18(2)29(16-20-10-5-6-13-27-20)24(23)19-9-7-12-26-15-19/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyKHMLUXNTDKKASI-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.22
Rot. Bonds5

About 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 23040556) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID23040556
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccccc1NC(=O)c1c(-c2cccnc2)n(Cc2ccccn2)c(C)cc1=O
InChIInChI=1S/C25H22N4O2/c1-17-8-3-4-11-21(17)28-25(31)23-22(30)14-18(2)29(16-20-10-5-6-13-27-20)24(23)19-9-7-12-26-15-19/h3-15H,16H2,1-2H3,(H,28,31)
InChIKeyKHMLUXNTDKKASI-UHFFFAOYSA-N
XLogP4.22
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)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 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 23040556) is 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is Cc1ccccc1NC(=O)c1c(-c2cccnc2)n(Cc2ccccn2)c(C)cc1=O.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KHMLUXNTDKKASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-8-3-4-11-21(17)28-25(31)23-22(30)14-18(2)29(16-20-10-5-6-13-27-20)24(23)19-9-7-12-26-15-19/h3-15H,16H2,1-2H3,(H,28,31).
What are the key properties of 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylphenyl)-4-oxo-2-pyridin-3-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23040556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).