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

C20H20F5N5O3S — CID 146525941

IUPAC5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(C(F)(F)F)nc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C20H20F5N5O3S/c21-19(22)4-7-30(8-5-19)17-14(10-13(11-1-2-11)16(29-17)20(23,24)25)18(31)28-12-3-6-27-15(9-12)34(26,32)33/h3,6,9-11H,1-2,4-5,7-8H2,(H2,26,32,33)(H,27,28,31)
InChIKeyLGQFFGZHPHFWFZ-UHFFFAOYSA-N
MW505.47 g/mol
LogP3.51
Rot. Bonds5

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

5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525941) has the molecular formula C20H20F5N5O3S and a molecular weight of 505.47 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525941
Molecular FormulaC20H20F5N5O3S
Molecular Weight505.47 g/mol
Exact Mass505.12
IUPAC Name5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(C(F)(F)F)nc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C20H20F5N5O3S/c21-19(22)4-7-30(8-5-19)17-14(10-13(11-1-2-11)16(29-17)20(23,24)25)18(31)28-12-3-6-27-15(9-12)34(26,32)33/h3,6,9-11H,1-2,4-5,7-8H2,(H2,26,32,33)(H,27,28,31)
InChIKeyLGQFFGZHPHFWFZ-UHFFFAOYSA-N
XLogP3.51
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525835
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 146525892
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
6-(cyclopropylmethyl)-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146526013
5-chloro-6-cyclopropyl-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525693
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741
2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525761
2-(4,4-difluoroazepan-1-yl)-5,6-dimethyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525762
2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 146525795
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525797
5-cyclobutyl-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525815
5-(2-cyclopropylethynyl)-2-(4,4-difluoropiperidin-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525819

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 146525941) is 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(C(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-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LGQFFGZHPHFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F5N5O3S/c21-19(22)4-7-30(8-5-19)17-14(10-13(11-1-2-11)16(29-17)20(23,24)25)18(31)28-12-3-6-27-15(9-12)34(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-(trifluoromethyl)pyridine-3-carboxamide?
5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 505.47 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).