N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

C24H17F2N3O4 — CID 57399707

About N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57399707) has the molecular formula C24H17F2N3O4 and a molecular weight of 449.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
• PubChem CID: 57399707
• Molecular Formula: C24H17F2N3O4
• Molecular Weight: 449.41 g/mol
• Exact Mass: 449.12
• IUPAC Name: N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
• SMILES: CC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
• InChI: InChI=1S/C24H17F2N3O4/c1-13(30)14-5-7-15(8-6-14)27-24(33)17-12-29(11-16-18(25)3-2-4-19(16)26)20-9-10-21(31)28-22(20)23(17)32/h2-10,12H,11H2,1H3,(H,27,33)(H,28,31)
• InChIKey: IHWICBGBVYNESR-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 101.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.41
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?

The IUPAC name of N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 57399707) is N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1.

What is the InChIKey of N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?

The InChIKey is IHWICBGBVYNESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O4/c1-13(30)14-5-7-15(8-6-14)27-24(33)17-12-29(11-16-18(25)3-2-4-19(16)26)20-9-10-21(31)28-22(20)23(17)32/h2-10,12H,11H2,1H3,(H,27,33)(H,28,31).

What are the key properties of N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?

N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 449.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylphenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57399707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).