2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C20H21F5N4O3S — CID 146576287

IUPAC2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CC(C)C1(F)F
InChIInChI=1S/C20H21F5N4O3S/c1-11-9-29(10-12(2)19(11,21)22)17-15(6-13(8-27-17)20(23,24)25)18(30)28-14-4-5-26-16(7-14)33(3,31)32/h4-8,11-12H,9-10H2,1-3H3,(H,26,28,30)
InChIKeyUZAZIAQMQXSGCC-UHFFFAOYSA-N
MW492.47 g/mol
LogP3.88
Rot. Bonds4

About 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146576287) has the molecular formula C20H21F5N4O3S and a molecular weight of 492.47 g/mol. Its IUPAC name is 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146576287
Molecular FormulaC20H21F5N4O3S
Molecular Weight492.47 g/mol
Exact Mass492.13
IUPAC Name2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CC(C)C1(F)F
InChIInChI=1S/C20H21F5N4O3S/c1-11-9-29(10-12(2)19(11,21)22)17-15(6-13(8-27-17)20(23,24)25)18(30)28-14-4-5-26-16(7-14)33(3,31)32/h4-8,11-12H,9-10H2,1-3H3,(H,26,28,30)
InChIKeyUZAZIAQMQXSGCC-UHFFFAOYSA-N
XLogP3.88
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-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-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146576287) is 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(C)(=O)=O)c2)CC(C)C1(F)F.
What is the InChIKey of 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UZAZIAQMQXSGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5N4O3S/c1-11-9-29(10-12(2)19(11,21)22)17-15(6-13(8-27-17)20(23,24)25)18(30)28-14-4-5-26-16(7-14)33(3,31)32/h4-8,11-12H,9-10H2,1-3H3,(H,26,28,30).
What are the key properties of 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 492.47 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3,5-dimethylpiperidin-1-yl)-N-(2-methylsulfonyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146576287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).