4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C24H24F3N5O3S — CID 153427257

IUPAC4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(Nc4cc(F)c(F)cc4F)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C24H24F3N5O3S/c1-13-11-24(2,3)32(12-13)23-21(22(28)33)18(7-8-29-23)36(34,35)20-6-4-5-19(31-20)30-17-10-15(26)14(25)9-16(17)27/h4-10,13H,11-12H2,1-3H3,(H2,28,33)(H,30,31)
InChIKeyWXWYLIXVSQDXLR-UHFFFAOYSA-N
MW519.55 g/mol
LogP4.19
Rot. Bonds6

About 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427257) has the molecular formula C24H24F3N5O3S and a molecular weight of 519.55 g/mol. Its IUPAC name is 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID153427257
Molecular FormulaC24H24F3N5O3S
Molecular Weight519.55 g/mol
Exact Mass519.16
IUPAC Name4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(Nc4cc(F)c(F)cc4F)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C24H24F3N5O3S/c1-13-11-24(2,3)32(12-13)23-21(22(28)33)18(7-8-29-23)36(34,35)20-6-4-5-19(31-20)30-17-10-15(26)14(25)9-16(17)27/h4-10,13H,11-12H2,1-3H3,(H2,28,33)(H,30,31)
InChIKeyWXWYLIXVSQDXLR-UHFFFAOYSA-N
XLogP4.19
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.55
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155517004
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008
2-[[2-[acetyl(methyl)amino]-4-pyridinyl]methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11316116
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)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146526072
2-{[6-(acetylamino)-3-pyridinyl]sulfanyl}-N-(4-fluorophenyl)nicotinamide
CID 3713328
N-methyl-6-[(4-methyl-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201718
4-(2-ethylsulfonylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 155523996
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427257) is 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(Nc4cc(F)c(F)cc4F)n3)c2C(N)=O)C(C)(C)C1.
What is the InChIKey of 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is WXWYLIXVSQDXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O3S/c1-13-11-24(2,3)32(12-13)23-21(22(28)33)18(7-8-29-23)36(34,35)20-6-4-5-19(31-20)30-17-10-15(26)14(25)9-16(17)27/h4-10,13H,11-12H2,1-3H3,(H2,28,33)(H,30,31).
What are the key properties of 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 519.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,4,5-trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).