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

C26H35ClN6O3 — CID 147820577

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

2-(6-azaspiro[2.5]octan-6-yl)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (PubChem CID 147820577) has the molecular formula C26H35ClN6O3 and a molecular weight of 515.06 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
• PubChem CID: 147820577
• Molecular Formula: C26H35ClN6O3
• Molecular Weight: 515.06 g/mol
• Exact Mass: 514.25
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
• SMILES: CC(C)(CO)Nc1ccc(C(=O)Nc2cc(Cl)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1
• InChI: InChI=1S/C26H35ClN6O3/c1-25(2,17-34)31-20-4-3-19(23(29-20)33-9-7-26(5-6-26)8-10-33)24(35)30-21-15-18(27)16-22(28-21)32-11-13-36-14-12-32/h3-4,15-16,34H,5-14,17H2,1-2H3,(H,29,31)(H,28,30,35)
• InChIKey: HPDUSSUFRURUPY-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 102.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.06
LogP ≤ 5	3.78
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)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide (CID 147820577) is 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide.

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

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is CC(C)(CO)Nc1ccc(C(=O)Nc2cc(Cl)cc(N3CCOCC3)n2)c(N2CCC3(CC2)CC3)n1.

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

The InChIKey is HPDUSSUFRURUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6O3/c1-25(2,17-34)31-20-4-3-19(23(29-20)33-9-7-26(5-6-26)8-10-33)24(35)30-21-15-18(27)16-22(28-21)32-11-13-36-14-12-32/h3-4,15-16,34H,5-14,17H2,1-2H3,(H,29,31)(H,28,30,35).

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

2-(6-azaspiro[2.5]octan-6-yl)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide has a molecular weight of 515.06 g/mol, XLogP of 3.78, 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)-N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 147820577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).