N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide

C25H23N3O2 — CID 1422070

About N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide

N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 1422070) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 1422070
• Molecular Formula: C25H23N3O2
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.18
• IUPAC Name: N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide
• SMILES: Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccncc2)c(C)c1
• InChI: InChI=1S/C25H23N3O2/c1-16-5-7-23(18(3)12-16)28(25(30)19-8-10-26-11-9-19)15-21-14-20-13-17(2)4-6-22(20)27-24(21)29/h4-14H,15H2,1-3H3,(H,27,29)
• InChIKey: JXWRAANMBNHLLD-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?

The IUPAC name of N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide (CID 1422070) is N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?

The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide is Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccncc2)c(C)c1.

What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?

The InChIKey is JXWRAANMBNHLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-16-5-7-23(18(3)12-16)28(25(30)19-8-10-26-11-9-19)15-21-14-20-13-17(2)4-6-22(20)27-24(21)29/h4-14H,15H2,1-3H3,(H,27,29).

What are the key properties of N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide?

N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethylphenyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 1422070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).