N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C20H14FN5O4 — CID 7621088

About N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 7621088) has the molecular formula C20H14FN5O4 and a molecular weight of 407.36 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 7621088
• Molecular Formula: C20H14FN5O4
• Molecular Weight: 407.36 g/mol
• Exact Mass: 407.10
• IUPAC Name: N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc2cccnc2n(Cc2ccccc2F)c1=O
• InChI: InChI=1S/C20H14FN5O4/c21-14-6-2-1-4-12(14)10-26-17-11(5-3-7-22-17)8-13(19(26)29)18(28)23-15-9-16(27)25-20(30)24-15/h1-9H,10H2,(H3,23,24,25,27,28,30)
• InChIKey: NYLCNPKTHAOQSL-UHFFFAOYSA-N
• XLogP: 1.21
• TPSA: 129.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.36
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 7621088) is N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1cc(=O)[nH]c(=O)[nH]1)c1cc2cccnc2n(Cc2ccccc2F)c1=O.

What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is NYLCNPKTHAOQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O4/c21-14-6-2-1-4-12(14)10-26-17-11(5-3-7-22-17)8-13(19(26)29)18(28)23-15-9-16(27)25-20(30)24-15/h1-9H,10H2,(H3,23,24,25,27,28,30).

What are the key properties of N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?

N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 407.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dioxo-1H-pyrimidin-6-yl)-1-[(2-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 7621088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).