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

C18H18F5N5O3S — CID 146525676

IUPAC2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCC1(F)F
InChIInChI=1S/C18H18F5N5O3S/c1-10-9-28(5-3-17(10,19)20)15-13(6-11(8-26-15)18(21,22)23)16(29)27-12-2-4-25-14(7-12)32(24,30)31/h2,4,6-8,10H,3,5,9H2,1H3,(H2,24,30,31)(H,25,27,29)
InChIKeyYPDVFXNLSOAQIY-UHFFFAOYSA-N
MW479.43 g/mol
LogP2.88
Rot. Bonds4

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

2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525676) has the molecular formula C18H18F5N5O3S and a molecular weight of 479.43 g/mol. Its IUPAC name is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525676
Molecular FormulaC18H18F5N5O3S
Molecular Weight479.43 g/mol
Exact Mass479.11
IUPAC Name2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCC1(F)F
InChIInChI=1S/C18H18F5N5O3S/c1-10-9-28(5-3-17(10,19)20)15-13(6-11(8-26-15)18(21,22)23)16(29)27-12-2-4-25-14(7-12)32(24,30)31/h2,4,6-8,10H,3,5,9H2,1H3,(H2,24,30,31)(H,25,27,29)
InChIKeyYPDVFXNLSOAQIY-UHFFFAOYSA-N
XLogP2.88
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525676) is 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2ncc(C(F)(F)F)cc2C(=O)Nc2ccnc(S(N)(=O)=O)c2)CCC1(F)F.
What is the InChIKey of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is YPDVFXNLSOAQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F5N5O3S/c1-10-9-28(5-3-17(10,19)20)15-13(6-11(8-26-15)18(21,22)23)16(29)27-12-2-4-25-14(7-12)32(24,30)31/h2,4,6-8,10H,3,5,9H2,1H3,(H2,24,30,31)(H,25,27,29).
What are the key properties of 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide?
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 479.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).