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

C25H34N2O2 — CID 158041269

IUPAC3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
SMILESCOc1cc(CCCCC2(c3ccccn3)CCOC3(CCCC3)C2)cnc1C
InChIInChI=1S/C25H34N2O2/c1-20-22(28-2)17-21(18-27-20)9-3-5-11-24(23-10-4-8-15-26-23)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
InChIKeyFIJOGUYSBJVCJE-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.57
Rot. Bonds7

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

3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine (PubChem CID 158041269) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine.

Molecular Properties

Compound Name3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
PubChem CID158041269
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
SMILESCOc1cc(CCCCC2(c3ccccn3)CCOC3(CCCC3)C2)cnc1C
InChIInChI=1S/C25H34N2O2/c1-20-22(28-2)17-21(18-27-20)9-3-5-11-24(23-10-4-8-15-26-23)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
InChIKeyFIJOGUYSBJVCJE-UHFFFAOYSA-N
XLogP5.57
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-methoxy-3-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine
CID 148726514
3-chloro-2-methoxy-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
CID 159040015
2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine-3-carbonitrile
CID 147809740
3-bromo-2-chloro-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine
CID 147699072
5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]-2-(trifluoromethyl)pyrimidine
CID 159111956
2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine
CID 147911027
5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]-2,3-bis(trifluoromethyl)pyridine
CID 153177049
2-[(9R)-9-[5-(4-chlorophenyl)pentyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
CID 158822502
3-(1,1-difluoroethyl)-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine
CID 161027623
3-bromo-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyridine-2-carbonitrile
CID 152783192
N-[(6-chloro-5-methoxy-3-pyridinyl)methyl]-2-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 129106271
4-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]-3-(trifluoromethoxy)phenol
CID 161104243

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine?
The IUPAC name of 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine (CID 158041269) is 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine.
What is the SMILES notation for 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine?
The canonical SMILES for 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine is COc1cc(CCCCC2(c3ccccn3)CCOC3(CCCC3)C2)cnc1C.
What is the InChIKey of 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine?
The InChIKey is FIJOGUYSBJVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-20-22(28-2)17-21(18-27-20)9-3-5-11-24(23-10-4-8-15-26-23)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.
What are the key properties of 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine?
3-methoxy-2-methyl-5-[4-(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 3-methoxy-2-methyl-5-[4-(9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl)butyl]pyridine is sourced from PubChem (CID 158041269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).