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

C21H20FN3O3 — CID 57390406

IUPAC1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncccc2n(C2CCCC2)c1=O
InChIInChI=1S/C21H20FN3O3/c22-14-9-7-13(8-10-14)12-24-20(27)17-19(26)18-16(6-3-11-23-18)25(21(17)28)15-4-1-2-5-15/h3,6-11,15,26H,1-2,4-5,12H2,(H,24,27)
InChIKeyZOLYFZFUUZDGKY-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.29
Rot. Bonds4

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

1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 57390406) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID57390406
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncccc2n(C2CCCC2)c1=O
InChIInChI=1S/C21H20FN3O3/c22-14-9-7-13(8-10-14)12-24-20(27)17-19(26)18-16(6-3-11-23-18)25(21(17)28)15-4-1-2-5-15/h3,6-11,15,26H,1-2,4-5,12H2,(H,24,27)
InChIKeyZOLYFZFUUZDGKY-UHFFFAOYSA-N
XLogP3.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (CID 57390406) is 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)c2ncccc2n(C2CCCC2)c1=O.
What is the InChIKey of 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is ZOLYFZFUUZDGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-14-9-7-13(8-10-14)12-24-20(27)17-19(26)18-16(6-3-11-23-18)25(21(17)28)15-4-1-2-5-15/h3,6-11,15,26H,1-2,4-5,12H2,(H,24,27).
What are the key properties of 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57390406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).