2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide

C26H35N5O4S — CID 155781289

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C26H35N5O4S/c1-25(2,17-32)29-22-9-8-21(23(28-22)31-14-12-26(10-11-26)13-15-31)24(33)27-19-4-3-5-20(16-19)36(34,35)30-18-6-7-18/h3-5,8-9,16,18,30,32H,6-7,10-15,17H2,1-2H3,(H,27,33)(H,28,29)
InChIKeySIZMJRGANADFRK-UHFFFAOYSA-N
MW513.66 g/mol
LogP3.34
Rot. Bonds9

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 155781289) has the molecular formula C26H35N5O4S and a molecular weight of 513.66 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
PubChem CID155781289
Molecular FormulaC26H35N5O4S
Molecular Weight513.66 g/mol
Exact Mass513.24
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(N2CCC3(CC2)CC3)n1
InChIInChI=1S/C26H35N5O4S/c1-25(2,17-32)29-22-9-8-21(23(28-22)31-14-12-26(10-11-26)13-15-31)24(33)27-19-4-3-5-20(16-19)36(34,35)30-18-6-7-18/h3-5,8-9,16,18,30,32H,6-7,10-15,17H2,1-2H3,(H,27,33)(H,28,29)
InChIKeySIZMJRGANADFRK-UHFFFAOYSA-N
XLogP3.34
TPSA123.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.66
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (CID 155781289) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is CC(C)(CO)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?
The InChIKey is SIZMJRGANADFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4S/c1-25(2,17-32)29-22-9-8-21(23(28-22)31-14-12-26(10-11-26)13-15-31)24(33)27-19-4-3-5-20(16-19)36(34,35)30-18-6-7-18/h3-5,8-9,16,18,30,32H,6-7,10-15,17H2,1-2H3,(H,27,33)(H,28,29).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 513.66 g/mol, XLogP of 3.34, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 155781289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).