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

C21H22F5N5O4S — CID 146525843

IUPAC5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(OCC(F)(F)F)nc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C21H22F5N5O4S/c22-20(23)4-7-31(8-5-20)17-15(18(32)29-13-3-6-28-16(9-13)36(27,33)34)10-14(12-1-2-12)19(30-17)35-11-21(24,25)26/h3,6,9-10,12H,1-2,4-5,7-8,11H2,(H2,27,33,34)(H,28,29,32)
InChIKeyPYKBELOOYGDSNM-UHFFFAOYSA-N
MW535.50 g/mol
LogP3.43
Rot. Bonds7

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

5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 146525843) has the molecular formula C21H22F5N5O4S and a molecular weight of 535.50 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID146525843
Molecular FormulaC21H22F5N5O4S
Molecular Weight535.50 g/mol
Exact Mass535.13
IUPAC Name5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(OCC(F)(F)F)nc2N2CCC(F)(F)CC2)ccn1
InChIInChI=1S/C21H22F5N5O4S/c22-20(23)4-7-31(8-5-20)17-15(18(32)29-13-3-6-28-16(9-13)36(27,33)34)10-14(12-1-2-12)19(30-17)35-11-21(24,25)26/h3,6,9-10,12H,1-2,4-5,7-8,11H2,(H2,27,33,34)(H,28,29,32)
InChIKeyPYKBELOOYGDSNM-UHFFFAOYSA-N
XLogP3.43
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

US11377438, Example 192
CID 146525662
US11377438, Example 42
CID 146525671
US11377438, Example 171
CID 146525686
US11377438, Example 91
CID 146525729
US11377438, Example 182
CID 146525763
US11377438, Example 41
CID 146525788
US11377438, Example 142
CID 146525882
US11377438, Example 183
CID 146525953
US11377438, Example 98
CID 146525769
US11377438, Example 97
CID 146525933
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250496
N-[6-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyridin-2-yl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250535

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 146525843) is 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C3CC3)c(OCC(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-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PYKBELOOYGDSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5N5O4S/c22-20(23)4-7-31(8-5-20)17-15(18(32)29-13-3-6-28-16(9-13)36(27,33)34)10-14(12-1-2-12)19(30-17)35-11-21(24,25)26/h3,6,9-10,12H,1-2,4-5,7-8,11H2,(H2,27,33,34)(H,28,29,32).
What are the key properties of 5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-cyclopropyl-2-(4,4-difluoropiperidin-1-yl)-N-(2-sulfamoyl-4-pyridinyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 535.50 g/mol, XLogP of 3.43, 7 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-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 146525843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).