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

C21H16FN5O3 — CID 135782798

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

1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 135782798) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 135782798
• Molecular Formula: C21H16FN5O3
• Molecular Weight: 405.39 g/mol
• Exact Mass: 405.12
• IUPAC Name: 1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: Cc1cc(=O)[nH]c(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)n1
• InChI: InChI=1S/C21H16FN5O3/c1-12-9-17(28)25-21(24-12)26-19(29)15-10-13-6-4-8-23-18(13)27(20(15)30)11-14-5-2-3-7-16(14)22/h2-10H,11H2,1H3,(H2,24,25,26,28,29)
• InChIKey: CWMWQBRSEZZOJS-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 109.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.39
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 135782798) is 1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is Cc1cc(=O)[nH]c(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)n1.

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

The InChIKey is CWMWQBRSEZZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3/c1-12-9-17(28)25-21(24-12)26-19(29)15-10-13-6-4-8-23-18(13)27(20(15)30)11-14-5-2-3-7-16(14)22/h2-10H,11H2,1H3,(H2,24,25,26,28,29).

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

1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 405.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-fluorophenyl)methyl]-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 135782798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).