8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H27N5O2 — CID 72848388

About 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72848388) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72848388
• Molecular Formula: C22H27N5O2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.22
• IUPAC Name: 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(C(=O)N2CCCC3(CCC(=O)N(CCc4ccccn4)C3)C2)cn1
• InChI: InChI=1S/C22H27N5O2/c1-17-13-25-19(14-24-17)21(29)27-11-4-8-22(16-27)9-6-20(28)26(15-22)12-7-18-5-2-3-10-23-18/h2-3,5,10,13-14H,4,6-9,11-12,15-16H2,1H3
• InChIKey: HWMBHFFTQNJUQJ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 79.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72848388) is 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(C(=O)N2CCCC3(CCC(=O)N(CCc4ccccn4)C3)C2)cn1.

What is the InChIKey of 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is HWMBHFFTQNJUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-17-13-25-19(14-24-17)21(29)27-11-4-8-22(16-27)9-6-20(28)26(15-22)12-7-18-5-2-3-10-23-18/h2-3,5,10,13-14H,4,6-9,11-12,15-16H2,1H3.

What are the key properties of 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 393.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-methylpyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72848388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).