2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane

C21H27N3O3 — CID 133137575

About 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane

2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 133137575) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 133137575
• Molecular Formula: C21H27N3O3
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.21
• IUPAC Name: 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: COc1ncccc1CN1CC2(CC(OCc3cnccc3C)CCO2)C1
• InChI: InChI=1S/C21H27N3O3/c1-16-5-8-22-11-18(16)13-26-19-6-9-27-21(10-19)14-24(15-21)12-17-4-3-7-23-20(17)25-2/h3-5,7-8,11,19H,6,9-10,12-15H2,1-2H3
• InChIKey: NGVIZNVXSHCCMS-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 56.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane (CID 133137575) is 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is COc1ncccc1CN1CC2(CC(OCc3cnccc3C)CCO2)C1.

What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is NGVIZNVXSHCCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-5-8-22-11-18(16)13-26-19-6-9-27-21(10-19)14-24(15-21)12-17-4-3-7-23-20(17)25-2/h3-5,7-8,11,19H,6,9-10,12-15H2,1-2H3.

What are the key properties of 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane?

2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 369.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-methoxy-3-pyridinyl)methyl]-8-[(4-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 133137575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).