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

C21H13ClFN3O3 — CID 54727109

IUPACN-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2cccc(F)c2)c1=O
InChIInChI=1S/C21H13ClFN3O3/c22-12-6-8-14(9-7-12)25-20(28)17-18(27)16-5-2-10-24-19(16)26(21(17)29)15-4-1-3-13(23)11-15/h1-11,27H,(H,25,28)
InChIKeyLXFAIQCLBRLJDB-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.14
Rot. Bonds3

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

N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 54727109) has the molecular formula C21H13ClFN3O3 and a molecular weight of 409.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID54727109
Molecular FormulaC21H13ClFN3O3
Molecular Weight409.80 g/mol
Exact Mass409.06
IUPAC NameN-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2cccc(F)c2)c1=O
InChIInChI=1S/C21H13ClFN3O3/c22-12-6-8-14(9-7-12)25-20(28)17-18(27)16-5-2-10-24-19(16)26(21(17)29)15-4-1-3-13(23)11-15/h1-11,27H,(H,25,28)
InChIKeyLXFAIQCLBRLJDB-UHFFFAOYSA-N
XLogP4.14
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-Chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,8-naphthyridine-3-carbonyl]amino]acetic acid
CID 54749350
1-(4-fluorobenzyl)-4-hydroxy-N-((1r,4r)-4-methylcyclohexyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 118735890
4-hydroxy-1-methyl-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684094
1-ethyl-4-hydroxy-2-oxo-N-(pyridin-2-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54684095
1-Benzyl-4-hydroxy-2-oxo-1,2-dihydro-[1,8]-naphthyridine-3-carboxylic Acid Cyclohexylamide
CID 59699565
N-[(2,4-difluorophenyl)methyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 76310943
N-[(3,4-difluorophenyl)methyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 76314583
N-[(3-chloro-4-fluoro-phenyl)methyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 76321849
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-4-pyridinyl-, hydrate (5:3)
CID 54684618
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-2-oxo-1-phenyl-N-3-pyridinyl-
CID 54684694
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-N-(2-(dimethylamino)ethyl)-4-hydroxy-2-oxo-1-phenyl-
CID 54715427
1,8-Naphthyridine-3-carboxamide, 1,2-dihydro-4-hydroxy-N-(3-methylphenyl)-2-oxo-1-phenyl-
CID 54715428

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 54727109) is N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1c(O)c2cccnc2n(-c2cccc(F)c2)c1=O.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LXFAIQCLBRLJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFN3O3/c22-12-6-8-14(9-7-12)25-20(28)17-18(27)16-5-2-10-24-19(16)26(21(17)29)15-4-1-3-13(23)11-15/h1-11,27H,(H,25,28).
What are the key properties of N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 409.80 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 54727109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).