2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C20H24F3N5O4S — CID 146525747

IUPAC2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C[C@H](C)C1(C)O
InChIInChI=1S/C20H24F3N5O4S/c1-11-9-28(10-12(2)19(11,3)30)17-15(6-13(8-26-17)20(21,22)23)18(29)27-14-4-5-25-16(7-14)33(24,31)32/h4-8,11-12,30H,9-10H2,1-3H3,(H2,24,31,32)(H,25,27,29)/t11-,12+,19?
InChIKeyVSNBJWYQTRYCCA-MGURWIJKSA-N
MW487.50 g/mol
LogP2.24
Rot. Bonds4

About 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525747) has the molecular formula C20H24F3N5O4S and a molecular weight of 487.50 g/mol. Its IUPAC name is 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525747
Molecular FormulaC20H24F3N5O4S
Molecular Weight487.50 g/mol
Exact Mass487.15
IUPAC Name2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C[C@H](C)C1(C)O
InChIInChI=1S/C20H24F3N5O4S/c1-11-9-28(10-12(2)19(11,3)30)17-15(6-13(8-26-17)20(21,22)23)18(29)27-14-4-5-25-16(7-14)33(24,31)32/h4-8,11-12,30H,9-10H2,1-3H3,(H2,24,31,32)(H,25,27,29)/t11-,12+,19?
InChIKeyVSNBJWYQTRYCCA-MGURWIJKSA-N
XLogP2.24
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)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

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
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146526013
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741
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
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525797
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 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525747) is 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is C[C@@H]1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C[C@H](C)C1(C)O.
What is the InChIKey of 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VSNBJWYQTRYCCA-MGURWIJKSA-N. The full InChI is InChI=1S/C20H24F3N5O4S/c1-11-9-28(10-12(2)19(11,3)30)17-15(6-13(8-26-17)20(21,22)23)18(29)27-14-4-5-25-16(7-14)33(24,31)32/h4-8,11-12,30H,9-10H2,1-3H3,(H2,24,31,32)(H,25,27,29)/t11-,12+,19?.
What are the key properties of 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 487.50 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-4-hydroxy-3,4,5-trimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).