9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H30N6O — CID 72850393

About 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72850393) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• PubChem CID: 72850393
• Molecular Formula: C22H30N6O
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.25
• IUPAC Name: 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• SMILES: CN(C)c1nccnc1N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1
• InChI: InChI=1S/C22H30N6O/c1-26(2)20-21(25-12-11-24-20)27-14-8-22(9-15-27)7-5-19(29)28(17-22)13-6-18-4-3-10-23-16-18/h3-4,10-12,16H,5-9,13-15,17H2,1-2H3
• InChIKey: QAYAQFIKGYTRAV-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 65.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72850393) is 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is CN(C)c1nccnc1N1CCC2(CCC(=O)N(CCc3cccnc3)C2)CC1.

What is the InChIKey of 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

The InChIKey is QAYAQFIKGYTRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-26(2)20-21(25-12-11-24-20)27-14-8-22(9-15-27)7-5-19(29)28(17-22)13-6-18-4-3-10-23-16-18/h3-4,10-12,16H,5-9,13-15,17H2,1-2H3.

What are the key properties of 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one?

9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 394.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(dimethylamino)pyrazin-2-yl]-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72850393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).