N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C24H19N3O4 — CID 7620568

About N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7620568) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 7620568
• Molecular Formula: C24H19N3O4
• Molecular Weight: 413.43 g/mol
• Exact Mass: 413.14
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: Cc1ccc(Cn2c(=O)c(C(=O)Nc3ccc4c(c3)OCO4)cc3cccnc32)cc1
• InChI: InChI=1S/C24H19N3O4/c1-15-4-6-16(7-5-15)13-27-22-17(3-2-10-25-22)11-19(24(27)29)23(28)26-18-8-9-20-21(12-18)31-14-30-20/h2-12H,13-14H2,1H3,(H,26,28)
• InChIKey: FRAUUSNMBBEBOG-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.43
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7620568) is N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1ccc(Cn2c(=O)c(C(=O)Nc3ccc4c(c3)OCO4)cc3cccnc32)cc1.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is FRAUUSNMBBEBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-15-4-6-16(7-5-15)13-27-22-17(3-2-10-25-22)11-19(24(27)29)23(28)26-18-8-9-20-21(12-18)31-14-30-20/h2-12H,13-14H2,1H3,(H,26,28).

What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7620568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).