2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C20H21ClN4O2 — CID 131658107

About 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131658107) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 131658107
• Molecular Formula: C20H21ClN4O2
• Molecular Weight: 384.87 g/mol
• Exact Mass: 384.14
• IUPAC Name: 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: CN1CC(=O)N(c2cccnc2)CC12CCN(C(=O)c1cccc(Cl)c1)C2
• InChI: InChI=1S/C20H21ClN4O2/c1-23-12-18(26)25(17-6-3-8-22-11-17)14-20(23)7-9-24(13-20)19(27)15-4-2-5-16(21)10-15/h2-6,8,10-11H,7,9,12-14H2,1H3
• InChIKey: HTXZHPCIIAALAU-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 56.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.87
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131658107) is 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccnc2)CC12CCN(C(=O)c1cccc(Cl)c1)C2.

What is the InChIKey of 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is HTXZHPCIIAALAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-23-12-18(26)25(17-6-3-8-22-11-17)14-20(23)7-9-24(13-20)19(27)15-4-2-5-16(21)10-15/h2-6,8,10-11H,7,9,12-14H2,1H3.

What are the key properties of 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 384.87 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131658107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).