(6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone

C21H26N4O2 — CID 131650235

About (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone

(6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131650235) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 131650235
• Molecular Formula: C21H26N4O2
• Molecular Weight: 366.47 g/mol
• Exact Mass: 366.21
• IUPAC Name: (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1ccc(C(=O)N2CC3(CC(COc4ccccn4)CCN3C)C2)cn1
• InChI: InChI=1S/C21H26N4O2/c1-16-6-7-18(12-23-16)20(26)25-14-21(15-25)11-17(8-10-24(21)2)13-27-19-5-3-4-9-22-19/h3-7,9,12,17H,8,10-11,13-15H2,1-2H3
• InChIKey: MAHLNAYXFKDRTP-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.47
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone (CID 131650235) is (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone is Cc1ccc(C(=O)N2CC3(CC(COc4ccccn4)CCN3C)C2)cn1.

What is the InChIKey of (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is MAHLNAYXFKDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-6-7-18(12-23-16)20(26)25-14-21(15-25)11-17(8-10-24(21)2)13-27-19-5-3-4-9-22-19/h3-7,9,12,17H,8,10-11,13-15H2,1-2H3.

What are the key properties of (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone?

(6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 366.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131650235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).