7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

C20H22N2O2 — CID 71455355

IUPAC7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1
InChIInChI=1S/C20H22N2O2/c1-23-19-4-2-3-5-20(19)24-18-9-17(12-22-13-18)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3
InChIKeyTWVKXXKMLUVNDJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.90
Rot. Bonds4

About 7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71455355) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71455355
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1
InChIInChI=1S/C20H22N2O2/c1-23-19-4-2-3-5-20(19)24-18-9-17(12-22-13-18)16-7-14-6-15(8-16)11-21-10-14/h2-5,7,9,12-15,21H,6,8,10-11H2,1H3
InChIKeyTWVKXXKMLUVNDJ-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

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (CID 71455355) is 7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is COc1ccccc1Oc1cncc(C2=CC3CNCC(C2)C3)c1.
What is the InChIKey of 7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is TWVKXXKMLUVNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-23-19-4-2-3-5-20(19)24-18-9-17(12-22-13-18)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-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
7-[5-(2-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-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71455355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).