6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide

C17H15BrN4O3S — CID 59406543

IUPAC6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc(-n3cnc(Br)c3)n2)cc1
InChIInChI=1S/C17H15BrN4O3S/c1-26(24,25)13-7-5-12(6-8-13)9-19-17(23)14-3-2-4-16(21-14)22-10-15(18)20-11-22/h2-8,10-11H,9H2,1H3,(H,19,23)
InChIKeyZXELBORPMBVIQZ-UHFFFAOYSA-N
MW435.30 g/mol
LogP2.36
Rot. Bonds5

About 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide

6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 59406543) has the molecular formula C17H15BrN4O3S and a molecular weight of 435.30 g/mol. Its IUPAC name is 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
PubChem CID59406543
Molecular FormulaC17H15BrN4O3S
Molecular Weight435.30 g/mol
Exact Mass434.00
IUPAC Name6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc(-n3cnc(Br)c3)n2)cc1
InChIInChI=1S/C17H15BrN4O3S/c1-26(24,25)13-7-5-12(6-8-13)9-19-17(23)14-3-2-4-16(21-14)22-10-15(18)20-11-22/h2-8,10-11H,9H2,1H3,(H,19,23)
InChIKeyZXELBORPMBVIQZ-UHFFFAOYSA-N
XLogP2.36
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methylsulfonylphenyl)methyl]-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine-2-carboxamide
CID 59406369
ethyl 1-[6-[(4-methylsulfonylphenyl)methylcarbamoyl]-2-pyridinyl]pyrazole-4-carboxylate
CID 59406494
N-[(4-methylsulfonylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 141094510
6-(2-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 59406527
4-[[(6-methylpyridine-2-carbonyl)amino]methyl]benzenesulfonyl chloride
CID 43096630
5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
N-[(4-ethylsulfonylphenyl)methyl]pyridine-2-carboxamide
CID 110794533
4-bromo-N-[(4-methylsulfonylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56567227
N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide
CID 141151622
5-bromo-N-[(4-sulfamoylphenyl)methyl]pyrazine-2-carboxamide
CID 112521897

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide (CID 59406543) is 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide is CS(=O)(=O)c1ccc(CNC(=O)c2cccc(-n3cnc(Br)c3)n2)cc1.
What is the InChIKey of 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZXELBORPMBVIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O3S/c1-26(24,25)13-7-5-12(6-8-13)9-19-17(23)14-3-2-4-16(21-14)22-10-15(18)20-11-22/h2-8,10-11H,9H2,1H3,(H,19,23).
What are the key properties of 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 435.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromoimidazol-1-yl)-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 59406543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).