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

C25H35N5O5S — CID 150185238

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

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 150185238) has the molecular formula C25H35N5O5S and a molecular weight of 517.65 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide
• PubChem CID: 150185238
• Molecular Formula: C25H35N5O5S
• Molecular Weight: 517.65 g/mol
• Exact Mass: 517.24
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide
• SMILES: CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)(O)CO)nc2N2CCC3(CC2)CC3)n1
• InChI: InChI=1S/C25H35N5O5S/c1-23(2,3)29-36(34,35)20-7-5-6-19(27-20)28-22(32)17-8-9-18(24(4,33)16-31)26-21(17)30-14-12-25(10-11-25)13-15-30/h5-9,29,31,33H,10-16H2,1-4H3,(H,27,28,32)
• InChIKey: FMGUSENLDQRBPK-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 144.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.65
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide (CID 150185238) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(C)(O)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-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide?

The InChIKey is FMGUSENLDQRBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O5S/c1-23(2,3)29-36(34,35)20-7-5-6-19(27-20)28-22(32)17-8-9-18(24(4,33)16-31)26-21(17)30-14-12-25(10-11-25)13-15-30/h5-9,29,31,33H,10-16H2,1-4H3,(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-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(tert-butylsulfamoyl)-2-pyridinyl]-6-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 517.65 g/mol, XLogP of 2.39, 7 rotatable bonds, 4 hydrogen bond donors, and 8 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-(1,2-dihydroxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 150185238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).