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

C20H23N3O3 — CID 97372094

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

(5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97372094) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: (5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
• PubChem CID: 97372094
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: (5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
• SMILES: Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4ccoc4)C3)C2=O)n1
• InChI: InChI=1S/C20H23N3O3/c1-15-4-2-5-17(21-15)12-22-10-8-20(19(22)25)7-3-9-23(14-20)18(24)16-6-11-26-13-16/h2,4-6,11,13H,3,7-10,12,14H2,1H3/t20-/m0/s1
• InChIKey: CBFZHURAMUZXJX-FQEVSTJZSA-N
• XLogP: 2.64
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 97372094) is (5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

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

The canonical SMILES for (5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CC[C@]3(CCCN(C(=O)c4ccoc4)C3)C2=O)n1.

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

The InChIKey is CBFZHURAMUZXJX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-4-2-5-17(21-15)12-22-10-8-20(19(22)25)7-3-9-23(14-20)18(24)16-6-11-26-13-16/h2,4-6,11,13H,3,7-10,12,14H2,1H3/t20-/m0/s1.

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

(5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 353.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97372094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).