7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

C20H22N2O2 — CID 71460834

IUPAC7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1
InChIInChI=1S/C20H22N2O2/c1-23-18-2-4-19(5-3-18)24-20-9-17(12-22-13-20)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3
InChIKeyZAGVNQCMOLWFKV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.90
Rot. Bonds4

About 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71460834) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71460834
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1
InChIInChI=1S/C20H22N2O2/c1-23-18-2-4-19(5-3-18)24-20-9-17(12-22-13-20)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3
InChIKeyZAGVNQCMOLWFKV-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-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene with MolForge

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Related Compounds

7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71455355
(1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71515118
7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 71458997
6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486305
(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
CID 87915523
(1S,4S)-2-[5-(4-methoxyphenoxy)-3-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane
CID 12016228
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 58191785
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486280
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.2.1]oct-6-ene;2,2,2-trifluoroacetic acid
CID 67271424
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
3-(4-methoxyphenyl)sulfanylazetidine
CID 62786123

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (CID 71460834) is 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is COc1ccc(Oc2cncc(C3=CC4CNCC(C3)C4)c2)cc1.
What is the InChIKey of 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is ZAGVNQCMOLWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-23-18-2-4-19(5-3-18)24-20-9-17(12-22-13-20)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3.
What are the key properties of 7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
7-[5-(4-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-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71460834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).