2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

C18H20F3N5O3S — CID 146525698

IUPAC2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C18H20F3N5O3S/c1-11-3-2-6-26(10-11)16-14(7-12(9-24-16)18(19,20)21)17(27)25-13-4-5-23-15(8-13)30(22,28)29/h4-5,7-9,11H,2-3,6,10H2,1H3,(H2,22,28,29)(H,23,25,27)/t11-/m1/s1
InChIKeyGXIQLIKRDHIRNL-LLVKDONJSA-N
MW443.45 g/mol
LogP2.63
Rot. Bonds4

About 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide

2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525698) has the molecular formula C18H20F3N5O3S and a molecular weight of 443.45 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525698
Molecular FormulaC18H20F3N5O3S
Molecular Weight443.45 g/mol
Exact Mass443.12
IUPAC Name2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C1
InChIInChI=1S/C18H20F3N5O3S/c1-11-3-2-6-26(10-11)16-14(7-12(9-24-16)18(19,20)21)17(27)25-13-4-5-23-15(8-13)30(22,28)29/h4-5,7-9,11H,2-3,6,10H2,1H3,(H2,22,28,29)(H,23,25,27)/t11-/m1/s1
InChIKeyGXIQLIKRDHIRNL-LLVKDONJSA-N
XLogP2.63
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-3-methylpiperidin-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-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525698) is 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is C[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)C1.
What is the InChIKey of 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is GXIQLIKRDHIRNL-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20F3N5O3S/c1-11-3-2-6-26(10-11)16-14(7-12(9-24-16)18(19,20)21)17(27)25-13-4-5-23-15(8-13)30(22,28)29/h4-5,7-9,11H,2-3,6,10H2,1H3,(H2,22,28,29)(H,23,25,27)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperidin-1-yl]-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).