N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide

C27H25N3O3 — CID 20929548

About N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide (PubChem CID 20929548) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
• PubChem CID: 20929548
• Molecular Formula: C27H25N3O3
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.19
• IUPAC Name: N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
• SMILES: Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3nc(C)ccc3c2=O)cc1
• InChI: InChI=1S/C27H25N3O3/c1-16-5-9-20(10-6-16)25(32)23-14-30(27-22(26(23)33)12-8-19(4)28-27)15-24(31)29-21-11-7-17(2)18(3)13-21/h5-14H,15H2,1-4H3,(H,29,31)
• InChIKey: YRHKMGJNMKFYNV-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 81.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide (CID 20929548) is N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide.

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

The canonical SMILES for N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide is Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3nc(C)ccc3c2=O)cc1.

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

The InChIKey is YRHKMGJNMKFYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-16-5-9-20(10-6-16)25(32)23-14-30(27-22(26(23)33)12-8-19(4)28-27)15-24(31)29-21-11-7-17(2)18(3)13-21/h5-14H,15H2,1-4H3,(H,29,31).

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

N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide is sourced from PubChem (CID 20929548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).