9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C22H26N4O2 — CID 131651209

About 9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131651209) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: 9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
• PubChem CID: 131651209
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
• SMILES: Cc1cccc(CN2CCC3(CCCN(C(=O)c4cccc(C)n4)C3)C2=O)n1
• InChI: InChI=1S/C22H26N4O2/c1-16-6-3-8-18(23-16)14-25-13-11-22(21(25)28)10-5-12-26(15-22)20(27)19-9-4-7-17(2)24-19/h3-4,6-9H,5,10-15H2,1-2H3
• InChIKey: HMENLMCVNSAEGU-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131651209) is 9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

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

The canonical SMILES for 9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CCC3(CCCN(C(=O)c4cccc(C)n4)C3)C2=O)n1.

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

The InChIKey is HMENLMCVNSAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-6-3-8-18(23-16)14-25-13-11-22(21(25)28)10-5-12-26(15-22)20(27)19-9-4-7-17(2)24-19/h3-4,6-9H,5,10-15H2,1-2H3.

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

9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 378.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131651209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).