8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C23H28N4O2 — CID 72845699

About 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72845699) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72845699
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1ccc(C(=O)N2CCCC3(CCC(=O)N(CCc4ccccn4)C3)C2)cn1
• InChI: InChI=1S/C23H28N4O2/c1-18-6-7-19(15-25-18)22(29)27-13-4-10-23(17-27)11-8-21(28)26(16-23)14-9-20-5-2-3-12-24-20/h2-3,5-7,12,15H,4,8-11,13-14,16-17H2,1H3
• InChIKey: HEFAURHPMPVILE-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72845699) is 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1ccc(C(=O)N2CCCC3(CCC(=O)N(CCc4ccccn4)C3)C2)cn1.

What is the InChIKey of 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is HEFAURHPMPVILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18-6-7-19(15-25-18)22(29)27-13-4-10-23(17-27)11-8-21(28)26(16-23)14-9-20-5-2-3-12-24-20/h2-3,5-7,12,15H,4,8-11,13-14,16-17H2,1H3.

What are the key properties of 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 392.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(6-methylpyridine-3-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72845699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).