(1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

C20H22N2O2 — CID 71515118

IUPAC(1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccccc1Oc1cncc(C2=C[C@@H]3CNC[C@H](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/t14-,15+/m1/s1
InChIKeyTWVKXXKMLUVNDJ-CABCVRRESA-N
MW322.41 g/mol
LogP3.90
Rot. Bonds4

About (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene

(1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71515118) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name(1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71515118
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
SMILESCOc1ccccc1Oc1cncc(C2=C[C@@H]3CNC[C@H](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/t14-,15+/m1/s1
InChIKeyTWVKXXKMLUVNDJ-CABCVRRESA-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 (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71455355
7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71460834
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
5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidine
CID 150700013
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
(1S,5S)-6-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.2.0]hept-6-ene
CID 87915523
1,3-dimethoxy-5-(2-methoxyphenoxy)benzene
CID 14020528
3-(6-methoxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-3-ene;dihydrochloride
CID 57485752
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
3-[5-(3,4-dimethoxyphenoxy)-3-pyridinyl]-3,6-diazabicyclo[3.2.2]nonane
CID 22045886
3-[2-methoxy-5-(2-methoxyphenyl)phenoxy]azetidine
CID 46204081

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene (CID 71515118) is (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is COc1ccccc1Oc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1.
What is the InChIKey of (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is TWVKXXKMLUVNDJ-CABCVRRESA-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/t14-,15+/m1/s1.
What are the key properties of (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene?
(1S,5R)-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 (1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71515118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).