2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide

C24H32FN5O4S — CID 151063088

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)CO)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C24H32FN5O4S/c1-23(2,3)29-35(33,34)20-6-4-5-19(27-20)28-22(32)16-7-8-18(17(25)15-31)26-21(16)30-13-11-24(9-10-24)12-14-30/h4-8,17,29,31H,9-15H2,1-3H3,(H,27,28,32)
InChIKeyMGOTUVGVEPCLOT-UHFFFAOYSA-N
MW505.62 g/mol
LogP3.19
Rot. Bonds7

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide (PubChem CID 151063088) has the molecular formula C24H32FN5O4S and a molecular weight of 505.62 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide
PubChem CID151063088
Molecular FormulaC24H32FN5O4S
Molecular Weight505.62 g/mol
Exact Mass505.22
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)CO)nc2N2CCC3(CC2)CC3)n1
InChIInChI=1S/C24H32FN5O4S/c1-23(2,3)29-35(33,34)20-6-4-5-19(27-20)28-22(32)16-7-8-18(17(25)15-31)26-21(16)30-13-11-24(9-10-24)12-14-30/h4-8,17,29,31H,9-15H2,1-3H3,(H,27,28,32)
InChIKeyMGOTUVGVEPCLOT-UHFFFAOYSA-N
XLogP3.19
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 53.19
H-Bond Donors ≤ 53
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-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide (CID 151063088) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(F)CO)nc2N2CCC3(CC2)CC3)n1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide?
The InChIKey is MGOTUVGVEPCLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O4S/c1-23(2,3)29-35(33,34)20-6-4-5-19(27-20)28-22(32)16-7-8-18(17(25)15-31)26-21(16)30-13-11-24(9-10-24)12-14-30/h4-8,17,29,31H,9-15H2,1-3H3,(H,27,28,32).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 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-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1-fluoro-2-hydroxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 151063088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).