2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

C22H28N4O3S — CID 155781170

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C22H28N4O3S/c1-16(2)25-30(28,29)18-6-3-5-17(15-18)24-21(27)19-7-4-12-23-20(19)26-13-10-22(8-9-22)11-14-26/h3-7,12,15-16,25H,8-11,13-14H2,1-2H3,(H,24,27)
InChIKeySAVHZEZIUFZKRL-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.40
Rot. Bonds6

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 155781170) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
PubChem CID155781170
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide
SMILESCC(C)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1
InChIInChI=1S/C22H28N4O3S/c1-16(2)25-30(28,29)18-6-3-5-17(15-18)24-21(27)19-7-4-12-23-20(19)26-13-10-22(8-9-22)11-14-26/h3-7,12,15-16,25H,8-11,13-14H2,1-2H3,(H,24,27)
InChIKeySAVHZEZIUFZKRL-UHFFFAOYSA-N
XLogP3.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide (CID 155781170) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is CC(C)NS(=O)(=O)c1cccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)c1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is SAVHZEZIUFZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c1-16(2)25-30(28,29)18-6-3-5-17(15-18)24-21(27)19-7-4-12-23-20(19)26-13-10-22(8-9-22)11-14-26/h3-7,12,15-16,25H,8-11,13-14H2,1-2H3,(H,24,27).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(propan-2-ylsulfamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 155781170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).