2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide

C26H35N5O6S — CID 170791208

About 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide (PubChem CID 170791208) has the molecular formula C26H35N5O6S and a molecular weight of 545.66 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide
• PubChem CID: 170791208
• Molecular Formula: C26H35N5O6S
• Molecular Weight: 545.66 g/mol
• Exact Mass: 545.23
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide
• SMILES: CC1CN(n2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)c2=O)CCO1
• InChI: InChI=1S/C26H35N5O6S/c1-19-18-30(13-15-37-19)31-10-2-3-22(25(31)34)27-24(33)21-5-4-20(28-38(35,36)16-14-32)17-23(21)29-11-8-26(6-7-26)9-12-29/h2-5,10,17,19,28,32H,6-9,11-16,18H2,1H3,(H,27,33)
• InChIKey: XIVDRPJUUMVLBT-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 133.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.66
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide (CID 170791208) is 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide is CC1CN(n2cccc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)c2=O)CCO1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide?

The InChIKey is XIVDRPJUUMVLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O6S/c1-19-18-30(13-15-37-19)31-10-2-3-22(25(31)34)27-24(33)21-5-4-20(28-38(35,36)16-14-32)17-23(21)29-11-8-26(6-7-26)9-12-29/h2-5,10,17,19,28,32H,6-9,11-16,18H2,1H3,(H,27,33).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide has a molecular weight of 545.66 g/mol, XLogP of 1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[1-(2-methylmorpholin-4-yl)-2-oxo-3-pyridinyl]benzamide is sourced from PubChem (CID 170791208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).