2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one

C23H30N4O — CID 70724419

About 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one

2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70724419) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 70724419
• Molecular Formula: C23H30N4O
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.24
• IUPAC Name: 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1CCC2(CCCN(CCCc3cccnc3)C2)CN1Cc1ccccn1
• InChI: InChI=1S/C23H30N4O/c28-22-9-11-23(19-27(22)17-21-8-1-2-13-25-21)10-5-15-26(18-23)14-4-7-20-6-3-12-24-16-20/h1-3,6,8,12-13,16H,4-5,7,9-11,14-15,17-19H2
• InChIKey: INGFLHVAGPLHOY-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70724419) is 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(CCCc3cccnc3)C2)CN1Cc1ccccn1.

What is the InChIKey of 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is INGFLHVAGPLHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-22-9-11-23(19-27(22)17-21-8-1-2-13-25-21)10-5-15-26(18-23)14-4-7-20-6-3-12-24-16-20/h1-3,6,8,12-13,16H,4-5,7,9-11,14-15,17-19H2.

What are the key properties of 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one?

2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 378.52 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70724419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).