1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide

C22H16F2N4O5S — CID 57392759

IUPAC1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C22H16F2N4O5S/c23-16-2-1-3-17(24)14(16)10-28-11-15(21(30)20-18(28)8-9-19(29)27-20)22(31)26-12-4-6-13(7-5-12)34(25,32)33/h1-9,11H,10H2,(H,26,31)(H,27,29)(H2,25,32,33)
InChIKeyYRERLWRCJUXSBW-UHFFFAOYSA-N
MW486.46 g/mol
LogP1.92
Rot. Bonds5

About 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide

1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide (PubChem CID 57392759) has the molecular formula C22H16F2N4O5S and a molecular weight of 486.46 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide
PubChem CID57392759
Molecular FormulaC22H16F2N4O5S
Molecular Weight486.46 g/mol
Exact Mass486.08
IUPAC Name1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
InChIInChI=1S/C22H16F2N4O5S/c23-16-2-1-3-17(24)14(16)10-28-11-15(21(30)20-18(28)8-9-19(29)27-20)22(31)26-12-4-6-13(7-5-12)34(25,32)33/h1-9,11H,10H2,(H,26,31)(H,27,29)(H2,25,32,33)
InChIKeyYRERLWRCJUXSBW-UHFFFAOYSA-N
XLogP1.92
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10416037
2-[3-(4-Acetylamino-benzenesulfonylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 9830006
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2442131
N-(4-fluorophenyl)-1-[(2-oxo-1,2-dihydroquinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 20903561
1-[(2,6-difluorophenyl)methyl]-N-[4-(dimethylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390975
1-[(2,6-difluorophenyl)methyl]-N-[4-(methylamino)phenyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390976
N-(4-aminophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390977
N-(4-acetamidophenyl)-1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57390978
1-[(2,6-difluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57392758
1-[(2,6-difluorophenyl)methyl]-N-(4-methylsulfanylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57392761
1-[(2,6-difluorophenyl)methyl]-N-(4-fluorophenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57394490
1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide
CID 57394508

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide (CID 57392759) is 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide?
The InChIKey is YRERLWRCJUXSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O5S/c23-16-2-1-3-17(24)14(16)10-28-11-15(21(30)20-18(28)8-9-19(29)27-20)22(31)26-12-4-6-13(7-5-12)34(25,32)33/h1-9,11H,10H2,(H,26,31)(H,27,29)(H2,25,32,33).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide?
1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide has a molecular weight of 486.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-N-(4-sulfamoylphenyl)-5H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57392759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).