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

C17H14FN3O3 — CID 54730002

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C17H14FN3O3/c1-19-16(23)13-15(22)14-12(21-17(13)24)7-10(8-20-14)6-9-2-4-11(18)5-3-9/h2-5,7-8H,6H2,1H3,(H,19,23)(H2,21,22,24)
InChIKeyWQEIENDQCZYTPJ-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.72
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 54730002) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide
PubChem CID54730002
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide
SMILESCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O
InChIInChI=1S/C17H14FN3O3/c1-19-16(23)13-15(22)14-12(21-17(13)24)7-10(8-20-14)6-9-2-4-11(18)5-3-9/h2-5,7-8H,6H2,1H3,(H,19,23)(H2,21,22,24)
InChIKeyWQEIENDQCZYTPJ-UHFFFAOYSA-N
XLogP1.72
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide (CID 54730002) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide is CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is WQEIENDQCZYTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-19-16(23)13-15(22)14-12(21-17(13)24)7-10(8-20-14)6-9-2-4-11(18)5-3-9/h2-5,7-8H,6H2,1H3,(H,19,23)(H2,21,22,24).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-methyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54730002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).