5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide

C20H20F5N5O4S — CID 146525763

IUPAC5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(OC(F)(F)F)nc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C20H20F5N5O4S/c21-19(22)4-7-30(8-5-19)16-14(10-13(11-1-2-11)18(29-16)34-20(23,24)25)17(31)28-12-3-6-27-15(9-12)35(26,32)33/h3,6,9-11H,1-2,4-5,7-8H2,(H2,26,32,33)(H,27,28,31)
InChIKeyQEDHFAJLWFBKAH-UHFFFAOYSA-N
MW521.47 g/mol
LogP3.39
Rot. Bonds6

About 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide

5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide (PubChem CID 146525763) has the molecular formula C20H20F5N5O4S and a molecular weight of 521.47 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide
PubChem CID146525763
Molecular FormulaC20H20F5N5O4S
Molecular Weight521.47 g/mol
Exact Mass521.12
IUPAC Name5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(OC(F)(F)F)nc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C20H20F5N5O4S/c21-19(22)4-7-30(8-5-19)16-14(10-13(11-1-2-11)18(29-16)34-20(23,24)25)17(31)28-12-3-6-27-15(9-12)35(26,32)33/h3,6,9-11H,1-2,4-5,7-8H2,(H2,26,32,33)(H,27,28,31)
InChIKeyQEDHFAJLWFBKAH-UHFFFAOYSA-N
XLogP3.39
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 146525665
US11377438, Example 192
CID 146525662
US11377438, Example 42
CID 146525671
US11377438, Example 171
CID 146525686
US11377438, Example 14
CID 146525772
US11377438, Example 41
CID 146525788
US11377438, Example 205
CID 146525811
US11377438, Example 12
CID 146525838
US11377438, Example 20
CID 146525843
US11377438, Example 90
CID 146525865
US11377438, Example 142
CID 146525882
US11377438, Example 181
CID 146525941

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide (CID 146525763) is 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(OC(F)(F)F)nc2N2CCC(F)(F)CC2)ccn1.
What is the InChIKey of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide?
The InChIKey is QEDHFAJLWFBKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N5O4S/c21-19(22)4-7-30(8-5-19)16-14(10-13(11-1-2-11)18(29-16)34-20(23,24)25)17(31)28-12-3-6-27-15(9-12)35(26,32)33/h3,6,9-11H,1-2,4-5,7-8H2,(H2,26,32,33)(H,27,28,31).
What are the key properties of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide?
5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide has a molecular weight of 521.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 146525763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).