N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C24H25F3N6O3S — CID 121253503

IUPACN-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3ccc(C(F)(F)F)nc3)n2)C(C)(C)C1
InChIInChI=1S/C24H25F3N6O3S/c1-15-12-23(2,3)33(14-15)21-17(6-5-11-28-21)22(34)32-37(35,36)20-8-4-7-19(31-20)30-16-9-10-18(29-13-16)24(25,26)27/h4-11,13,15H,12,14H2,1-3H3,(H,30,31)(H,32,34)
InChIKeyGBVJOIYTIVKNPM-UHFFFAOYSA-N
MW534.56 g/mol
LogP4.38
Rot. Bonds6

About N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253503) has the molecular formula C24H25F3N6O3S and a molecular weight of 534.56 g/mol. Its IUPAC name is N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121253503
Molecular FormulaC24H25F3N6O3S
Molecular Weight534.56 g/mol
Exact Mass534.17
IUPAC NameN-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3ccc(C(F)(F)F)nc3)n2)C(C)(C)C1
InChIInChI=1S/C24H25F3N6O3S/c1-15-12-23(2,3)33(14-15)21-17(6-5-11-28-21)22(34)32-37(35,36)20-8-4-7-19(31-20)30-16-9-10-18(29-13-16)24(25,26)27/h4-11,13,15H,12,14H2,1-3H3,(H,30,31)(H,32,34)
InChIKeyGBVJOIYTIVKNPM-UHFFFAOYSA-N
XLogP4.38
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525892
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146526013
2-amino-5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyridine-3-carboxamide
CID 10275824
N-(2-aminophenyl)-6-(3,3-dimethyl-4-(phenylsulfonyl)piperazin-1-yl)nicotinamide
CID 16662808
N-(2-aminophenyl)-6-(7-(phenylsulfonyl)-2,7-diazaspiro[4.4]nonan-2-yl)nicotinamide
CID 24745764
5-[2-[[4-(4-methylsulfonylpiperazin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 57404485
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525761
2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525762
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146525795
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525815
5-(2-cyclopropylethynyl)-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525819
6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525857

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253503) is N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3ccc(C(F)(F)F)nc3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is GBVJOIYTIVKNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3S/c1-15-12-23(2,3)33(14-15)21-17(6-5-11-28-21)22(34)32-37(35,36)20-8-4-7-19(31-20)30-16-9-10-18(29-13-16)24(25,26)27/h4-11,13,15H,12,14H2,1-3H3,(H,30,31)(H,32,34).
What are the key properties of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 534.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).