5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

C18H17ClF5N5O3S — CID 146525660

IUPAC5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(F)(F)F)c(Cl)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCC1(F)F
InChIInChI=1S/C18H17ClF5N5O3S/c1-9-8-29(5-3-17(9,20)21)15-11(7-12(19)14(28-15)18(22,23)24)16(30)27-10-2-4-26-13(6-10)33(25,31)32/h2,4,6-7,9H,3,5,8H2,1H3,(H2,25,31,32)(H,26,27,30)
InChIKeyWDFFDAKACGGDBE-UHFFFAOYSA-N
MW513.88 g/mol
LogP3.53
Rot. Bonds4

About 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide

5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525660) has the molecular formula C18H17ClF5N5O3S and a molecular weight of 513.88 g/mol. Its IUPAC name is 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525660
Molecular FormulaC18H17ClF5N5O3S
Molecular Weight513.88 g/mol
Exact Mass513.07
IUPAC Name5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(F)(F)F)c(Cl)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCC1(F)F
InChIInChI=1S/C18H17ClF5N5O3S/c1-9-8-29(5-3-17(9,20)21)15-11(7-12(19)14(28-15)18(22,23)24)16(30)27-10-2-4-26-13(6-10)33(25,31)32/h2,4,6-7,9H,3,5,8H2,1H3,(H2,25,31,32)(H,26,27,30)
InChIKeyWDFFDAKACGGDBE-UHFFFAOYSA-N
XLogP3.53
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.88
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(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 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 146525660) is 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2nc(C(F)(F)F)c(Cl)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCC1(F)F.
What is the InChIKey of 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WDFFDAKACGGDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF5N5O3S/c1-9-8-29(5-3-17(9,20)21)15-11(7-12(19)14(28-15)18(22,23)24)16(30)27-10-2-4-26-13(6-10)33(25,31)32/h2,4,6-7,9H,3,5,8H2,1H3,(H2,25,31,32)(H,26,27,30).
What are the key properties of 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 513.88 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).