2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine

C25H34N2O2 — CID 148726514

About 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine

2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine (PubChem CID 148726514) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine.

Molecular Properties

• Compound Name: 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine
• PubChem CID: 148726514
• Molecular Formula: C25H34N2O2
• Molecular Weight: 394.56 g/mol
• Exact Mass: 394.26
• IUPAC Name: 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine
• SMILES: COc1ncc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1C
• InChI: InChI=1S/C25H34N2O2/c1-20-17-21(18-27-23(20)28-2)9-3-5-11-24(22-10-4-8-15-26-22)14-16-29-25(19-24)12-6-7-13-25/h4,8,10,15,17-18H,3,5-7,9,11-14,16,19H2,1-2H3/t24-/m1/s1
• InChIKey: OACQCNRTGNTBEH-XMMPIXPASA-N
• XLogP: 5.57
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.56
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine?

The IUPAC name of 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine (CID 148726514) is 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine.

What is the SMILES notation for 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine?

The canonical SMILES for 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine is COc1ncc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1C.

What is the InChIKey of 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine?

The InChIKey is OACQCNRTGNTBEH-XMMPIXPASA-N. The full InChI is InChI=1S/C25H34N2O2/c1-20-17-21(18-27-23(20)28-2)9-3-5-11-24(22-10-4-8-15-26-22)14-16-29-25(19-24)12-6-7-13-25/h4,8,10,15,17-18H,3,5-7,9,11-14,16,19H2,1-2H3/t24-/m1/s1.

What are the key properties of 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine?

2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine has a molecular weight of 394.56 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine is sourced from PubChem (CID 148726514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).