N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide

C21H21N3O3S — CID 7161193

IUPACN-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-7-9-19(10-8-14)28(26,27)24-18-11-17(12-22-13-18)21(25)23-20-6-4-5-15(2)16(20)3/h4-13,24H,1-3H3,(H,23,25)
InChIKeyGBXYZUJTKBVSSD-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.06
Rot. Bonds5

About N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide

N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide (PubChem CID 7161193) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
PubChem CID7161193
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C21H21N3O3S/c1-14-7-9-19(10-8-14)28(26,27)24-18-11-17(12-22-13-18)21(25)23-20-6-4-5-15(2)16(20)3/h4-13,24H,1-3H3,(H,23,25)
InChIKeyGBXYZUJTKBVSSD-UHFFFAOYSA-N
XLogP4.06
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242107
N-(2,3-dimethylphenyl)-4-[(3-methylphenyl)sulfamoyl]benzamide
CID 109061685
5-anilino-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109241546
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
5-(2,3-dimethylanilino)-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241651
N-(3-chloro-2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9413988
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 8015612
5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 70789482
N-(2,6-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960015
N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960019
3-N-(2,3-dimethylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101427

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide (CID 7161193) is N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)Nc3cccc(C)c3C)c2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
The InChIKey is GBXYZUJTKBVSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-14-7-9-19(10-8-14)28(26,27)24-18-11-17(12-22-13-18)21(25)23-20-6-4-5-15(2)16(20)3/h4-13,24H,1-3H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 7161193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).