7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

C20H22N2O2 — CID 71453666

IUPAC7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1cccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)c1
InChIInChI=1S/C20H22N2O2/c1-23-18-3-2-4-19(9-18)24-20-8-17(12-22-13-20)16-6-14-5-15(7-16)11-21-10-14/h2-4,6,8-9,12-15,21H,5,7,10-11H2,1H3
InChIKeyGIUMMCXYLUQIND-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.90
Rot. Bonds4

About 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71453666) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71453666
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1cccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)c1
InChIInChI=1S/C20H22N2O2/c1-23-18-3-2-4-19(9-18)24-20-8-17(12-22-13-20)16-6-14-5-15(7-16)11-21-10-14/h2-4,6,8-9,12-15,21H,5,7,10-11H2,1H3
InChIKeyGIUMMCXYLUQIND-UHFFFAOYSA-N
XLogP3.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene with MolForge

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Related Compounds

3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-((S)-1-Azetidin-2-ylmethoxy)-5-phenyl-pyridine
CID 22872635
7-(5-Propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485797
7-(5-Phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485799
7-(5-Methoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485800
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
4-[2-(4-Methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile
CID 127027348
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
7-[5-(2-Chlorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71450030
7-[5-(4-Fluorophenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71453627
7-[5-(2-Methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71455355
7-(5-Methoxy-3-pyridinyl)-3-methyl-3-azabicyclo[3.3.1]non-6-ene
CID 71455357

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (CID 71453666) is 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is COc1cccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)c1.
What is the InChIKey of 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is GIUMMCXYLUQIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-23-18-3-2-4-19(9-18)24-20-8-17(12-22-13-20)16-6-14-5-15(7-16)11-21-10-14/h2-4,6,8-9,12-15,21H,5,7,10-11H2,1H3.
What are the key properties of 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 322.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71453666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).