2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide

C27H38N6O3 — CID 149277195

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 149277195) has the molecular formula C27H38N6O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
• PubChem CID: 149277195
• Molecular Formula: C27H38N6O3
• Molecular Weight: 494.64 g/mol
• Exact Mass: 494.30
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1
• InChI: InChI=1S/C27H38N6O3/c1-19-16-22(28-23(17-19)32-12-14-36-15-13-32)30-25(35)20-4-5-21(31-26(2,3)18-34)29-24(20)33-10-8-27(6-7-27)9-11-33/h4-5,16-17,34H,6-15,18H2,1-3H3,(H,29,31)(H,28,30,35)
• InChIKey: XSFZENXWNARLKY-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 102.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.64
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide (CID 149277195) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(NC(C)(C)CO)nc2N2CCC3(CC2)CC3)nc(N2CCOCC2)c1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide?

The InChIKey is XSFZENXWNARLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O3/c1-19-16-22(28-23(17-19)32-12-14-36-15-13-32)30-25(35)20-4-5-21(31-26(2,3)18-34)29-24(20)33-10-8-27(6-7-27)9-11-33/h4-5,16-17,34H,6-15,18H2,1-3H3,(H,29,31)(H,28,30,35).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide?

2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 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)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-(4-methyl-6-morpholin-4-yl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 149277195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).