5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile

C19H24N4O3 — CID 70733842

About 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile

5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile (PubChem CID 70733842) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile
• PubChem CID: 70733842
• Molecular Formula: C19H24N4O3
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.18
• IUPAC Name: 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile
• SMILES: CCCC(C)N1CC2(CCN(C(=O)c3ccc(C#N)nc3)CC2)OC1=O
• InChI: InChI=1S/C19H24N4O3/c1-3-4-14(2)23-13-19(26-18(23)25)7-9-22(10-8-19)17(24)15-5-6-16(11-20)21-12-15/h5-6,12,14H,3-4,7-10,13H2,1-2H3
• InChIKey: DXDINDSVHHSJLG-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 86.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile?

The IUPAC name of 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile (CID 70733842) is 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile.

What is the SMILES notation for 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile?

The canonical SMILES for 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile is CCCC(C)N1CC2(CCN(C(=O)c3ccc(C#N)nc3)CC2)OC1=O.

What is the InChIKey of 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile?

The InChIKey is DXDINDSVHHSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-4-14(2)23-13-19(26-18(23)25)7-9-22(10-8-19)17(24)15-5-6-16(11-20)21-12-15/h5-6,12,14H,3-4,7-10,13H2,1-2H3.

What are the key properties of 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile?

5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile has a molecular weight of 356.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-oxo-3-pentan-2-yl-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)pyridine-2-carbonitrile is sourced from PubChem (CID 70733842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).