7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide

C22H20FN5O3 — CID 69482221

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482221) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482221
• Molecular Formula: C22H20FN5O3
• Molecular Weight: 421.43 g/mol
• Exact Mass: 421.16
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2nccn2C)c1=O
• InChI: InChI=1S/C22H20FN5O3/c1-24-21(30)18-20(29)19-16(28(22(18)31)12-17-25-7-8-27(17)2)10-14(11-26-19)9-13-3-5-15(23)6-4-13/h3-8,10-11,29H,9,12H2,1-2H3,(H,24,30)
• InChIKey: AQORDVAUWMUBDG-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 102.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.43
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482221) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide is CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(Cc2nccn2C)c1=O.

What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is AQORDVAUWMUBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-24-21(30)18-20(29)19-16(28(22(18)31)12-17-25-7-8-27(17)2)10-14(11-26-19)9-13-3-5-15(23)6-4-13/h3-8,10-11,29H,9,12H2,1-2H3,(H,24,30).

What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide?

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 421.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).