6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide

C21H20BrN3O3S — CID 27018737

IUPAC6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H20BrN3O3S/c1-14-19(11-12-20(23-14)15-5-4-6-16(22)13-15)21(26)24-17-7-9-18(10-8-17)29(27,28)25(2)3/h4-13H,1-3H3,(H,24,26)
InChIKeyDXCVDHMWSWCKTB-UHFFFAOYSA-N
MW474.38 g/mol
LogP4.32
Rot. Bonds5

About 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide (PubChem CID 27018737) has the molecular formula C21H20BrN3O3S and a molecular weight of 474.38 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
PubChem CID27018737
Molecular FormulaC21H20BrN3O3S
Molecular Weight474.38 g/mol
Exact Mass473.04
IUPAC Name6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C21H20BrN3O3S/c1-14-19(11-12-20(23-14)15-5-4-6-16(22)13-15)21(26)24-17-7-9-18(10-8-17)29(27,28)25(2)3/h4-13H,1-3H3,(H,24,26)
InChIKeyDXCVDHMWSWCKTB-UHFFFAOYSA-N
XLogP4.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)-N-methoxy-2-methylpyridine-3-carboxamide
CID 30796992
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 30822082
6-(3-bromophenyl)-N-(2,5-difluorophenyl)-2-methylpyridine-3-carboxamide
CID 27005490
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 55726267
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715
6-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 27285916
6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
CID 39428114
2-[(3-bromophenyl)methoxy]-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 26196212
6-(3-bromophenyl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 30751977

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide (CID 27018737) is 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is DXCVDHMWSWCKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3S/c1-14-19(11-12-20(23-14)15-5-4-6-16(22)13-15)21(26)24-17-7-9-18(10-8-17)29(27,28)25(2)3/h4-13H,1-3H3,(H,24,26).
What are the key properties of 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 474.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 27018737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).