5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide

C23H22F3N5O3S — CID 157158718

IUPAC5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1cnc(N2CCC(c3ccc(C(F)(F)F)cc3)C2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C23H22F3N5O3S/c1-14-10-19(22(32)30-18-6-8-28-20(11-18)35(27,33)34)21(29-12-14)31-9-7-16(13-31)15-2-4-17(5-3-15)23(24,25)26/h2-6,8,10-12,16H,7,9,13H2,1H3,(H2,27,33,34)(H,28,30,32)
InChIKeyAMCTTWYLIMWORE-UHFFFAOYSA-N
MW505.52 g/mol
LogP3.70
Rot. Bonds5

About 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide

5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 157158718) has the molecular formula C23H22F3N5O3S and a molecular weight of 505.52 g/mol. Its IUPAC name is 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID157158718
Molecular FormulaC23H22F3N5O3S
Molecular Weight505.52 g/mol
Exact Mass505.14
IUPAC Name5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1cnc(N2CCC(c3ccc(C(F)(F)F)cc3)C2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C23H22F3N5O3S/c1-14-10-19(22(32)30-18-6-8-28-20(11-18)35(27,33)34)21(29-12-14)31-9-7-16(13-31)15-2-4-17(5-3-15)23(24,25)26/h2-6,8,10-12,16H,7,9,13H2,1H3,(H2,27,33,34)(H,28,30,32)
InChIKeyAMCTTWYLIMWORE-UHFFFAOYSA-N
XLogP3.70
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 147818169
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525749
2-(3-cyanopyrrolidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525806
2-[(3R)-3-cyanopyrrolidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525803
2-[(1S,5R)-3-azabicyclo[3.2.0]heptan-3-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525717
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-5-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 148581689
2-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525666
2-[2-ethyl-6-(trifluoromethyl)morpholin-4-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146576276
2-(5,5-difluoro-2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146576274
2-(4,4-difluoro-3-methylpiperidin-1-yl)-6-methyl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 158871475
5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoropiperidin-1-yl)-5-piperidin-1-yl-N-(2-sulfamoyl-4-pyridinyl)pyridine-3-carboxamide
CID 146525973

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide (CID 157158718) is 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide is Cc1cnc(N2CCC(c3ccc(C(F)(F)F)cc3)C2)c(C(=O)Nc2ccnc(S(N)(=O)=O)c2)c1.
What is the InChIKey of 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is AMCTTWYLIMWORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O3S/c1-14-10-19(22(32)30-18-6-8-28-20(11-18)35(27,33)34)21(29-12-14)31-9-7-16(13-31)15-2-4-17(5-3-15)23(24,25)26/h2-6,8,10-12,16H,7,9,13H2,1H3,(H2,27,33,34)(H,28,30,32).
What are the key properties of 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide?
5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 505.52 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-sulfamoyl-4-pyridinyl)-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157158718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).