7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C22H25N3O3 — CID 56913568

About 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56913568) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 56913568
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: Cc1cccc(CN2CCCC3(CCN(C(=O)c4ccc(=O)[nH]c4)C3)C2=O)c1
• InChI: InChI=1S/C22H25N3O3/c1-16-4-2-5-17(12-16)14-24-10-3-8-22(21(24)28)9-11-25(15-22)20(27)18-6-7-19(26)23-13-18/h2,4-7,12-13H,3,8-11,14-15H2,1H3,(H,23,26)
• InChIKey: ACXIBGWLSADLFQ-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 73.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 56913568) is 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cccc(CN2CCCC3(CCN(C(=O)c4ccc(=O)[nH]c4)C3)C2=O)c1.

What is the InChIKey of 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is ACXIBGWLSADLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-4-2-5-17(12-16)14-24-10-3-8-22(21(24)28)9-11-25(15-22)20(27)18-6-7-19(26)23-13-18/h2,4-7,12-13H,3,8-11,14-15H2,1H3,(H,23,26).

What are the key properties of 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 379.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3-methylphenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56913568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).