2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide

C26H36N4O6S — CID 154957721

About 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide (PubChem CID 154957721) has the molecular formula C26H36N4O6S and a molecular weight of 532.66 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide
• PubChem CID: 154957721
• Molecular Formula: C26H36N4O6S
• Molecular Weight: 532.66 g/mol
• Exact Mass: 532.24
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide
• SMILES: Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OCC(C)(C)O)c1
• InChI: InChI=1S/C26H36N4O6S/c1-18-14-22(27-23(15-18)36-17-25(2,3)33)28-24(32)20-5-4-19(29-37(34,35)13-12-31)16-21(20)30-10-8-26(6-7-26)9-11-30/h4-5,14-16,29,31,33H,6-13,17H2,1-3H3,(H,27,28,32)
• InChIKey: QIWQJXIBXLRSOU-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 141.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.66
LogP ≤ 5	2.91
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)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide (CID 154957721) is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide is Cc1cc(NC(=O)c2ccc(NS(=O)(=O)CCO)cc2N2CCC3(CC2)CC3)nc(OCC(C)(C)O)c1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide?

The InChIKey is QIWQJXIBXLRSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O6S/c1-18-14-22(27-23(15-18)36-17-25(2,3)33)28-24(32)20-5-4-19(29-37(34,35)13-12-31)16-21(20)30-10-8-26(6-7-26)9-11-30/h4-5,14-16,29,31,33H,6-13,17H2,1-3H3,(H,27,28,32).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide has a molecular weight of 532.66 g/mol, XLogP of 2.91, 10 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)-4-(2-hydroxyethylsulfonylamino)-N-[6-(2-hydroxy-2-methylpropoxy)-4-methyl-2-pyridinyl]benzamide is sourced from PubChem (CID 154957721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).