8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide

C46H36Cl2N6O6S2 — CID 159045768

IUPAC8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cc1.CS(=O)(=O)c1cccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)c1
InChIInChI=1S/2C23H18ClN3O3S/c1-31(29,30)19-9-2-15(3-10-19)12-26-23(28)21-11-6-17-13-25-14-20(22(17)27-21)16-4-7-18(24)8-5-16;1-31(29,30)19-4-2-3-15(11-19)12-26-23(28)21-10-7-17-13-25-14-20(22(17)27-21)16-5-8-18(24)9-6-16/h2*2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeyJWQADRNWPMHYNY-UHFFFAOYSA-N
MW903.87 g/mol
LogP8.57
Rot. Bonds10

About 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide

8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 159045768) has the molecular formula C46H36Cl2N6O6S2 and a molecular weight of 903.87 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID159045768
Molecular FormulaC46H36Cl2N6O6S2
Molecular Weight903.87 g/mol
Exact Mass902.15
IUPAC Name8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cc1.CS(=O)(=O)c1cccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)c1
InChIInChI=1S/2C23H18ClN3O3S/c1-31(29,30)19-9-2-15(3-10-19)12-26-23(28)21-11-6-17-13-25-14-20(22(17)27-21)16-4-7-18(24)8-5-16;1-31(29,30)19-4-2-3-15(11-19)12-26-23(28)21-10-7-17-13-25-14-20(22(17)27-21)16-5-8-18(24)9-6-16/h2*2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeyJWQADRNWPMHYNY-UHFFFAOYSA-N
XLogP8.57
TPSA178.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.87
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 75204137
5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide
CID 158795736
8-(2,4-difluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 90178110
N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 4162089
8-(2-chlorophenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 90178363
8-(3-chlorophenyl)-N-(2-methoxyethyl)-1,6-naphthyridine-2-carboxamide
CID 75204375
6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406527
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
CID 43096630
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
N-[[3-(methylsulfamoyl)phenyl]methyl]quinoline-2-carboxamide
CID 38971731
1-methyl-4-(4-methylsulfonylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 171922061
2-N-[(4-chlorophenyl)methyl]-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094411

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide (CID 159045768) is 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)cc1.CS(=O)(=O)c1cccc(CNC(=O)c2ccc3cncc(-c4ccc(Cl)cc4)c3n2)c1.
What is the InChIKey of 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is JWQADRNWPMHYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18ClN3O3S/c1-31(29,30)19-9-2-15(3-10-19)12-26-23(28)21-11-6-17-13-25-14-20(22(17)27-21)16-4-7-18(24)8-5-16;1-31(29,30)19-4-2-3-15(11-19)12-26-23(28)21-10-7-17-13-25-14-20(22(17)27-21)16-5-8-18(24)9-6-16/h2*2-11,13-14H,12H2,1H3,(H,26,28).
What are the key properties of 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 903.87 g/mol, XLogP of 8.57, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 159045768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).