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

C23H17F2N3O3 — CID 110172755

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

1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 110172755) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide
• PubChem CID: 110172755
• Molecular Formula: C23H17F2N3O3
• Molecular Weight: 421.40 g/mol
• Exact Mass: 421.12
• IUPAC Name: 1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide
• SMILES: CN(C(=O)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O)c1ccccc1
• InChI: InChI=1S/C23H17F2N3O3/c1-27(14-6-3-2-4-7-14)23(31)16-13-28(12-15-17(24)8-5-9-18(15)25)19-10-11-20(29)26-21(19)22(16)30/h2-11,13H,12H2,1H3,(H,26,29)
• InChIKey: NHLDNEOHXUYARQ-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 75.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.40
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide (CID 110172755) is 1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide.

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

The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide is CN(C(=O)c1cn(Cc2c(F)cccc2F)c2ccc(=O)[nH]c2c1=O)c1ccccc1.

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

The InChIKey is NHLDNEOHXUYARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c1-27(14-6-3-2-4-7-14)23(31)16-13-28(12-15-17(24)8-5-9-18(15)25)19-10-11-20(29)26-21(19)22(16)30/h2-11,13H,12H2,1H3,(H,26,29).

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

1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 421.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,6-difluorophenyl)methyl]-N-methyl-4,6-dioxo-N-phenyl-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 110172755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).