N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C26H25N3O2 — CID 1453703

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 1453703) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
• PubChem CID: 1453703
• Molecular Formula: C26H25N3O2
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.19
• IUPAC Name: N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)c2cccnc2)cc1
• InChI: InChI=1S/C26H25N3O2/c1-17-6-9-20(10-7-17)15-29(26(31)22-5-4-12-27-14-22)16-23-13-21-11-8-18(2)19(3)24(21)28-25(23)30/h4-14H,15-16H2,1-3H3,(H,28,30)
• InChIKey: PBSFJJYHGMTTRW-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?

The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 1453703) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)c2cccnc2)cc1.

What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?

The InChIKey is PBSFJJYHGMTTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-6-9-20(10-7-17)15-29(26(31)22-5-4-12-27-14-22)16-23-13-21-11-8-18(2)19(3)24(21)28-25(23)30/h4-14H,15-16H2,1-3H3,(H,28,30).

What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 1453703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).