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

C25H27F3N6O3S — CID 121253148

IUPACN-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N(C)c3cccc(C(F)(F)F)n3)n2)C(C)(C)C1
InChIInChI=1S/C25H27F3N6O3S/c1-16-14-24(2,3)34(15-16)22-17(8-7-13-29-22)23(35)32-38(36,37)21-12-6-11-20(31-21)33(4)19-10-5-9-18(30-19)25(26,27)28/h5-13,16H,14-15H2,1-4H3,(H,32,35)
InChIKeyUSUKEZQYFUXRNF-UHFFFAOYSA-N
MW548.59 g/mol
LogP4.40
Rot. Bonds6

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

N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253148) has the molecular formula C25H27F3N6O3S and a molecular weight of 548.59 g/mol. Its IUPAC name is N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121253148
Molecular FormulaC25H27F3N6O3S
Molecular Weight548.59 g/mol
Exact Mass548.18
IUPAC NameN-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N(C)c3cccc(C(F)(F)F)n3)n2)C(C)(C)C1
InChIInChI=1S/C25H27F3N6O3S/c1-16-14-24(2,3)34(15-16)22-17(8-7-13-29-22)23(35)32-38(36,37)21-12-6-11-20(31-21)33(4)19-10-5-9-18(30-19)25(26,27)28/h5-13,16H,14-15H2,1-4H3,(H,32,35)
InChIKeyUSUKEZQYFUXRNF-UHFFFAOYSA-N
XLogP4.40
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525835
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
N-(2-aminophenyl)-6-(3,3-dimethyl-4-(phenylsulfonyl)piperazin-1-yl)nicotinamide
CID 16662808
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
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146526072
US11377438, Example 53
CID 146525760

Frequently Asked Questions

What is the IUPAC name of N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253148) is N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N(C)c3cccc(C(F)(F)F)n3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is USUKEZQYFUXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O3S/c1-16-14-24(2,3)34(15-16)22-17(8-7-13-29-22)23(35)32-38(36,37)21-12-6-11-20(31-21)33(4)19-10-5-9-18(30-19)25(26,27)28/h5-13,16H,14-15H2,1-4H3,(H,32,35).
What are the key properties of N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 548.59 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[methyl-[6-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).