2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one

C21H27N3O3 — CID 131685243

About 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one

2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131685243) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
• PubChem CID: 131685243
• Molecular Formula: C21H27N3O3
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.21
• IUPAC Name: 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one
• SMILES: Cc1cccc(CN2CCC3(CCCN(C(=O)C4[C@H]5COC[C@@H]45)C3)C2=O)n1
• InChI: InChI=1S/C21H27N3O3/c1-14-4-2-5-15(22-14)10-23-9-7-21(20(23)26)6-3-8-24(13-21)19(25)18-16-11-27-12-17(16)18/h2,4-5,16-18H,3,6-13H2,1H3/t16-,17+,18?,21?
• InChIKey: AJBMLHOMDALGFN-JOIKAWEESA-N
• XLogP: 1.62
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?

The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131685243) is 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?

The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CCC3(CCCN(C(=O)C4[C@H]5COC[C@@H]45)C3)C2=O)n1.

What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?

The InChIKey is AJBMLHOMDALGFN-JOIKAWEESA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-4-2-5-15(22-14)10-23-9-7-21(20(23)26)6-3-8-24(13-21)19(25)18-16-11-27-12-17(16)18/h2,4-5,16-18H,3,6-13H2,1H3/t16-,17+,18?,21?.

What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one?

2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 369.47 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methyl-2-pyridinyl)methyl]-9-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131685243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).