2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide

C24H26N4O3 — CID 53087039

About 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide

2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 53087039) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
• PubChem CID: 53087039
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide
• SMILES: Cc1cccc(NC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c1
• InChI: InChI=1S/C24H26N4O3/c1-16-7-6-8-18(13-16)26-21(29)15-28-14-20(24(31)27-11-4-3-5-12-27)22(30)19-10-9-17(2)25-23(19)28/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,26,29)
• InChIKey: DWTVUMLQJMWFFH-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide?

The IUPAC name of 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide (CID 53087039) is 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide.

What is the SMILES notation for 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide?

The canonical SMILES for 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cc(C(=O)N3CCCCC3)c(=O)c3ccc(C)nc32)c1.

What is the InChIKey of 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide?

The InChIKey is DWTVUMLQJMWFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-7-6-8-18(13-16)26-21(29)15-28-14-20(24(31)27-11-4-3-5-12-27)22(30)19-10-9-17(2)25-23(19)28/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,26,29).

What are the key properties of 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide?

2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-methyl-4-oxo-3-(piperidine-1-carbonyl)-1,8-naphthyridin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 53087039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).