7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide

C21H20FN3O4 — CID 54707849

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C21H20FN3O4/c22-14-5-3-12(4-6-14)8-13-9-16-18(23-10-13)19(26)17(21(28)25-16)20(27)24-11-15-2-1-7-29-15/h3-6,9-10,15H,1-2,7-8,11H2,(H,24,27)(H2,25,26,28)
InChIKeyYOUYVIQFYWBPCJ-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.27
Rot. Bonds5

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54707849) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54707849
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C21H20FN3O4/c22-14-5-3-12(4-6-14)8-13-9-16-18(23-10-13)19(26)17(21(28)25-16)20(27)24-11-15-2-1-7-29-15/h3-6,9-10,15H,1-2,7-8,11H2,(H,24,27)(H2,25,26,28)
InChIKeyYOUYVIQFYWBPCJ-UHFFFAOYSA-N
XLogP2.27
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide (CID 54707849) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide is O=C(NCC1CCCO1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is YOUYVIQFYWBPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-14-5-3-12(4-6-14)8-13-9-16-18(23-10-13)19(26)17(21(28)25-16)20(27)24-11-15-2-1-7-29-15/h3-6,9-10,15H,1-2,7-8,11H2,(H,24,27)(H2,25,26,28).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-N-(oxolan-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54707849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).