N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C21H12F3N3O3 — CID 54727105

IUPACN-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1c(O)c2cccnc2n(-c2cccc(F)c2)c1=O
InChIInChI=1S/C21H12F3N3O3/c22-11-3-1-4-13(9-11)27-19-14(5-2-8-25-19)18(28)17(21(27)30)20(29)26-12-6-7-15(23)16(24)10-12/h1-10,28H,(H,26,29)
InChIKeyVFWLNFJXRFXTBV-UHFFFAOYSA-N
MW411.34 g/mol
LogP3.76
Rot. Bonds3

About N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54727105) has the molecular formula C21H12F3N3O3 and a molecular weight of 411.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54727105
Molecular FormulaC21H12F3N3O3
Molecular Weight411.34 g/mol
Exact Mass411.08
IUPAC NameN-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1c(O)c2cccnc2n(-c2cccc(F)c2)c1=O
InChIInChI=1S/C21H12F3N3O3/c22-11-3-1-4-13(9-11)27-19-14(5-2-8-25-19)18(28)17(21(27)30)20(29)26-12-6-7-15(23)16(24)10-12/h1-10,28H,(H,26,29)
InChIKeyVFWLNFJXRFXTBV-UHFFFAOYSA-N
XLogP3.76
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726973
N-benzyl-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727044
N-(4-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727141
1-(4-fluorophenyl)-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726940
N-(2,4-difluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727135
N-(3-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727140
methyl 3-[[1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonyl]amino]benzoate
CID 54726961
4-hydroxy-1-(3-methoxyphenyl)-N-(3-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727123
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726976
4-hydroxy-N-(4-methoxyphenyl)-2-oxo-1-phenyl-1,8-naphthyridine-3-carboxamide
CID 54722023
1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
4-hydroxy-2-oxo-1-phenyl-N-pyridin-2-yl-1,8-naphthyridine-3-carboxamide
CID 54722015

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54727105) is N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1c(O)c2cccnc2n(-c2cccc(F)c2)c1=O.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is VFWLNFJXRFXTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F3N3O3/c22-11-3-1-4-13(9-11)27-19-14(5-2-8-25-19)18(28)17(21(27)30)20(29)26-12-6-7-15(23)16(24)10-12/h1-10,28H,(H,26,29).
What are the key properties of N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 411.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54727105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).