N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C13H13F3N4O3S — CID 167939272

IUPACN-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)ncc1C(=O)NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C13H13F3N4O3S/c1-7-4-10(13(14,15)16)17-5-9(7)12(21)19-24(22,23)11-6-20(3)8(2)18-11/h4-6H,1-3H3,(H,19,21)
InChIKeyLEOJDYBPCFPWQW-UHFFFAOYSA-N
MW362.33 g/mol
LogP1.57
Rot. Bonds3

About N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 167939272) has the molecular formula C13H13F3N4O3S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID167939272
Molecular FormulaC13H13F3N4O3S
Molecular Weight362.33 g/mol
Exact Mass362.07
IUPAC NameN-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(C(F)(F)F)ncc1C(=O)NS(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C13H13F3N4O3S/c1-7-4-10(13(14,15)16)17-5-9(7)12(21)19-24(22,23)11-6-20(3)8(2)18-11/h4-6H,1-3H3,(H,19,21)
InChIKeyLEOJDYBPCFPWQW-UHFFFAOYSA-N
XLogP1.57
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,6-dimethyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyridine-3-carboxamide
CID 53566561
2-{1-[(1-Methyl-1H-imidazol-4-YL)sulfonyl]piperidin-3-YL}-1H-pyrrole-3-carboxamide
CID 91910385
(3-((1-methyl-1H-imidazol-2-yl)sulfonyl)azetidin-1-yl)(6-(trifluoromethyl)pyridin-3-yl)methanone
CID 91814587
N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-5,6-dimethylpyridine-2-carboxamide
CID 137998934
N-[[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]-pyridin-2-ylmethyl]-2-(trifluoromethyl)benzamide
CID 46935751
2-amino-1-ethyl-7-[3-fluoro-4-[(1-methylimidazol-4-yl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53303057
3-[tert-butyl(methyl)sulfamoyl]-N-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 89954290
2-[1-(2,2,2-Trifluoroethyl)imidazol-4-yl]pyridine-4-carboxamide
CID 90407175
N-[6-[[6-(trifluoromethyl)pyridin-3-yl]amino]pyridin-2-yl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253503
6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonyl-N-methylsulfonylpyridine-3-carboxamide
CID 135333801
N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide
CID 137357354
6-[5-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1-methylimidazol-2-yl]-5-ethylsulfonylpyridine-3-carbaldehyde
CID 141710148

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 167939272) is N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(C(F)(F)F)ncc1C(=O)NS(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LEOJDYBPCFPWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O3S/c1-7-4-10(13(14,15)16)17-5-9(7)12(21)19-24(22,23)11-6-20(3)8(2)18-11/h4-6H,1-3H3,(H,19,21).
What are the key properties of N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 362.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167939272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).