pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C20H24N4O — CID 131649206

About pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 131649206) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 131649206
• Molecular Formula: C20H24N4O
• Molecular Weight: 336.44 g/mol
• Exact Mass: 336.20
• IUPAC Name: pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
• SMILES: O=C(c1ccncc1)N1CCC2(CCCN(Cc3ccccn3)C2)C1
• InChI: InChI=1S/C20H24N4O/c25-19(17-5-10-21-11-6-17)24-13-8-20(16-24)7-3-12-23(15-20)14-18-4-1-2-9-22-18/h1-2,4-6,9-11H,3,7-8,12-16H2
• InChIKey: BWBWBXDAQQUCDI-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.44
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The IUPAC name of pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 131649206) is pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

What is the SMILES notation for pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The canonical SMILES for pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C(c1ccncc1)N1CCC2(CCCN(Cc3ccccn3)C2)C1.

What is the InChIKey of pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The InChIKey is BWBWBXDAQQUCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-19(17-5-10-21-11-6-17)24-13-8-20(16-24)7-3-12-23(15-20)14-18-4-1-2-9-22-18/h1-2,4-6,9-11H,3,7-8,12-16H2.

What are the key properties of pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?

pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 131649206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).