1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

C23H17ClFN3O5S — CID 57394508

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C23H17ClFN3O5S/c1-34(32,33)14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
InChIKeyWUCGXMCXJRLPEJ-UHFFFAOYSA-N
MW501.92 g/mol
LogP3.19
Rot. Bonds5

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57394508) has the molecular formula C23H17ClFN3O5S and a molecular weight of 501.92 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57394508
Molecular FormulaC23H17ClFN3O5S
Molecular Weight501.92 g/mol
Exact Mass501.06
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C23H17ClFN3O5S/c1-34(32,33)14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29)
InChIKeyWUCGXMCXJRLPEJ-UHFFFAOYSA-N
XLogP3.19
TPSA118.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.92
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155557452
1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(diethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 56928304
1-[(2,6-difluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57392758
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide
CID 57392759
1-[(2,6-difluorophenyl)methyl]-N-(4-methylsulfanylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57392761
N-(4-acetamidophenyl)-1-[(2-chloro-6-fluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57392776
1-[(2-chloro-6-fluorophenyl)methyl]-N-(3-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57392778
1-[(2-chloro-6-fluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57401478
1-[(2-chloro-6-fluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide
CID 57403221
(2E)-2-[(2-chloro-4-fluorophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155521830
2-[3-(benzenesulfonyl)-6-fluoro-4-oxoquinolin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 2136681
1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-N-(4-sulfamoylphenyl)-1,6-dihydropyridine-3-carboxamide
CID 16825029

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide (CID 57394508) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3Cl)c3ccc(=O)[nH]c3c2=O)cc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is WUCGXMCXJRLPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O5S/c1-34(32,33)14-7-5-13(6-8-14)26-23(31)16-12-28(11-15-17(24)3-2-4-18(15)25)19-9-10-20(29)27-21(19)22(16)30/h2-10,12H,11H2,1H3,(H,26,31)(H,27,29).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 501.92 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57394508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).