5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide

C46H36Cl2N6O6S2 — CID 158795736

IUPAC5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cnc3cncc(-c4ccc(Cl)cc4)c3c2)cc1.CS(=O)(=O)c1cccc(CNC(=O)c2cnc3cncc(-c4ccc(Cl)cc4)c3c2)c1
InChIInChI=1S/2C23H18ClN3O3S/c1-31(29,30)19-8-2-15(3-9-19)11-27-23(28)17-10-20-21(13-25-14-22(20)26-12-17)16-4-6-18(24)7-5-16;1-31(29,30)19-4-2-3-15(9-19)11-27-23(28)17-10-20-21(13-25-14-22(20)26-12-17)16-5-7-18(24)8-6-16/h2*2-10,12-14H,11H2,1H3,(H,27,28)
InChIKeyISVMIRRKFYRKPP-UHFFFAOYSA-N
MW903.87 g/mol
LogP8.57
Rot. Bonds10

About 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide (PubChem CID 158795736) has the molecular formula C46H36Cl2N6O6S2 and a molecular weight of 903.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide
PubChem CID158795736
Molecular FormulaC46H36Cl2N6O6S2
Molecular Weight903.87 g/mol
Exact Mass902.15
IUPAC Name5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cnc3cncc(-c4ccc(Cl)cc4)c3c2)cc1.CS(=O)(=O)c1cccc(CNC(=O)c2cnc3cncc(-c4ccc(Cl)cc4)c3c2)c1
InChIInChI=1S/2C23H18ClN3O3S/c1-31(29,30)19-8-2-15(3-9-19)11-27-23(28)17-10-20-21(13-25-14-22(20)26-12-17)16-4-6-18(24)7-5-16;1-31(29,30)19-4-2-3-15(9-19)11-27-23(28)17-10-20-21(13-25-14-22(20)26-12-17)16-5-7-18(24)8-6-16/h2*2-10,12-14H,11H2,1H3,(H,27,28)
InChIKeyISVMIRRKFYRKPP-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 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide with MolForge

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Related Compounds

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
8-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 75204137
6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 52905736
2-[3-(3-chlorophenyl)prop-1-ynyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 10225173
N-benzyl-5-[(4-chlorophenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910418
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
3-[(4-chlorophenyl)methylcarbamoyl]benzenesulfonyl chloride
CID 110823511
N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764055
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
1,3-dimethyl-N-[[3-(methylsulfamoyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34644381
5,6-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 63311124
3-(cyanomethyl)-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 60511881

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 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) is 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cnc3cncc(-c4ccc(Cl)cc4)c3c2)cc1.CS(=O)(=O)c1cccc(CNC(=O)c2cnc3cncc(-c4ccc(Cl)cc4)c3c2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide?
The InChIKey is ISVMIRRKFYRKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18ClN3O3S/c1-31(29,30)19-8-2-15(3-9-19)11-27-23(28)17-10-20-21(13-25-14-22(20)26-12-17)16-4-6-18(24)7-5-16;1-31(29,30)19-4-2-3-15(9-19)11-27-23(28)17-10-20-21(13-25-14-22(20)26-12-17)16-5-7-18(24)8-6-16/h2*2-10,12-14H,11H2,1H3,(H,27,28).
What are the key properties of 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide?
5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-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 5-(4-chlorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide;5-(4-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 158795736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).