6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C25H24N4O3 — CID 42407329

About 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 42407329) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 42407329
• Molecular Formula: C25H24N4O3
• Molecular Weight: 428.49 g/mol
• Exact Mass: 428.18
• IUPAC Name: 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1ccccc1Cc1c(C(=O)NCc2ccon2)c(=O)cc(C)n1Cc1ccccn1
• InChI: InChI=1S/C25H24N4O3/c1-17-7-3-4-8-19(17)14-22-24(25(31)27-15-20-10-12-32-28-20)23(30)13-18(2)29(22)16-21-9-5-6-11-26-21/h3-13H,14-16H2,1-2H3,(H,27,31)
• InChIKey: DIKPISBUXCYDGT-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 90.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.49
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 42407329) is 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is Cc1ccccc1Cc1c(C(=O)NCc2ccon2)c(=O)cc(C)n1Cc1ccccn1.

What is the InChIKey of 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?

The InChIKey is DIKPISBUXCYDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17-7-3-4-8-19(17)14-22-24(25(31)27-15-20-10-12-32-28-20)23(30)13-18(2)29(22)16-21-9-5-6-11-26-21/h3-13H,14-16H2,1-2H3,(H,27,31).

What are the key properties of 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?

6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42407329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).