2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

C30H41N7O2 — CID 167272401

About 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 167272401) has the molecular formula C30H41N7O2 and a molecular weight of 531.71 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
• PubChem CID: 167272401
• Molecular Formula: C30H41N7O2
• Molecular Weight: 531.71 g/mol
• Exact Mass: 531.33
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC4(CN5CCC5)CC4)nc3N3CCC4(CC3)CC4)n2)CCO1
• InChI: InChI=1S/C30H41N7O2/c1-22-20-37(18-19-39-22)26-5-2-4-24(31-26)33-28(38)23-6-7-25(34-30(10-11-30)21-35-14-3-15-35)32-27(23)36-16-12-29(8-9-29)13-17-36/h2,4-7,22H,3,8-21H2,1H3,(H,32,34)(H,31,33,38)/t22-/m1/s1
• InChIKey: RYKKXSNTHXRDGM-JOCHJYFZSA-N
• XLogP: 3.98
• TPSA: 85.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.71
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 167272401) is 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is C[C@@H]1CN(c2cccc(NC(=O)c3ccc(NC4(CN5CCC5)CC4)nc3N3CCC4(CC3)CC4)n2)CCO1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

The InChIKey is RYKKXSNTHXRDGM-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H41N7O2/c1-22-20-37(18-19-39-22)26-5-2-4-24(31-26)33-28(38)23-6-7-25(34-30(10-11-30)21-35-14-3-15-35)32-27(23)36-16-12-29(8-9-29)13-17-36/h2,4-7,22H,3,8-21H2,1H3,(H,32,34)(H,31,33,38)/t22-/m1/s1.

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide?

2-(6-azaspiro[2.5]octan-6-yl)-6-[[1-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 531.71 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 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-(azetidin-1-ylmethyl)cyclopropyl]amino]-N-[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 167272401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).