2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C19H21N3O3 — CID 45233209

About 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45233209) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45233209
• Molecular Formula: C19H21N3O3
• Molecular Weight: 339.39 g/mol
• Exact Mass: 339.16
• IUPAC Name: 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: O=C(c1ccco1)N1CCC2(CCCN(Cc3cccnc3)C2=O)C1
• InChI: InChI=1S/C19H21N3O3/c23-17(16-5-2-11-25-16)22-10-7-19(14-22)6-3-9-21(18(19)24)13-15-4-1-8-20-12-15/h1-2,4-5,8,11-12H,3,6-7,9-10,13-14H2
• InChIKey: YBRGQGIJBMJUQP-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.39
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45233209) is 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1ccco1)N1CCC2(CCCN(Cc3cccnc3)C2=O)C1.

What is the InChIKey of 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is YBRGQGIJBMJUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-17(16-5-2-11-25-16)22-10-7-19(14-22)6-3-9-21(18(19)24)13-15-4-1-8-20-12-15/h1-2,4-5,8,11-12H,3,6-7,9-10,13-14H2.

What are the key properties of 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?

2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 339.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45233209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).