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

C19H20F5N5O3S — CID 146525888

IUPAC2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-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(F)F
InChIInChI=1S/C19H20F5N5O3S/c1-10-8-29(9-11(2)18(10,20)21)16-14(5-12(7-27-16)19(22,23)24)17(30)28-13-3-4-26-15(6-13)33(25,31)32/h3-7,10-11H,8-9H2,1-2H3,(H2,25,31,32)(H,26,28,30)/t10-,11+
InChIKeyFJRKLLYIBBWJKC-PHIMTYICSA-N
MW493.46 g/mol
LogP3.12
Rot. Bonds4

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

2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525888) has the molecular formula C19H20F5N5O3S and a molecular weight of 493.46 g/mol. Its IUPAC name is 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525888
Molecular FormulaC19H20F5N5O3S
Molecular Weight493.46 g/mol
Exact Mass493.12
IUPAC Name2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-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(F)F
InChIInChI=1S/C19H20F5N5O3S/c1-10-8-29(9-11(2)18(10,20)21)16-14(5-12(7-27-16)19(22,23)24)17(30)28-13-3-4-26-15(6-13)33(25,31)32/h3-7,10-11H,8-9H2,1-2H3,(H2,25,31,32)(H,26,28,30)/t10-,11+
InChIKeyFJRKLLYIBBWJKC-PHIMTYICSA-N
XLogP3.12
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525888) is 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-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(F)F.
What is the InChIKey of 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FJRKLLYIBBWJKC-PHIMTYICSA-N. The full InChI is InChI=1S/C19H20F5N5O3S/c1-10-8-29(9-11(2)18(10,20)21)16-14(5-12(7-27-16)19(22,23)24)17(30)28-13-3-4-26-15(6-13)33(25,31)32/h3-7,10-11H,8-9H2,1-2H3,(H2,25,31,32)(H,26,28,30)/t10-,11+.
What are the key properties of 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 493.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-4,4-difluoro-3,5-dimethylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).