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

C24H25FN4O4 — CID 58882974

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 58882974) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide
• PubChem CID: 58882974
• Molecular Formula: C24H25FN4O4
• Molecular Weight: 452.49 g/mol
• Exact Mass: 452.19
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide
• SMILES: Cn1c(=O)c(C(=O)NCCCN2CCCC2=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21
• InChI: InChI=1S/C24H25FN4O4/c1-28-18-13-16(12-15-5-7-17(25)8-6-15)14-27-21(18)22(31)20(24(28)33)23(32)26-9-3-11-29-10-2-4-19(29)30/h5-8,13-14,31H,2-4,9-12H2,1H3,(H,26,32)
• InChIKey: NLISQTHJICPFKQ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 104.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.49
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide (CID 58882974) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide.

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

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCCCN2CCCC2=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21.

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

The InChIKey is NLISQTHJICPFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-28-18-13-16(12-15-5-7-17(25)8-6-15)14-27-21(18)22(31)20(24(28)33)23(32)26-9-3-11-29-10-2-4-19(29)30/h5-8,13-14,31H,2-4,9-12H2,1H3,(H,26,32).

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).