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

C19H20N2O — CID 57486305

IUPAC6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cncc(Oc3ccccc3)c2)C2CNCC(C1)C2
InChIInChI=1S/C19H20N2O/c1-2-4-17(5-3-1)22-18-9-16(12-21-13-18)19-7-6-14-8-15(19)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2
InChIKeyMLPOLNJAXYPDLN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.89
Rot. Bonds3

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

6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 57486305) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
PubChem CID57486305
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cncc(Oc3ccccc3)c2)C2CNCC(C1)C2
InChIInChI=1S/C19H20N2O/c1-2-4-17(5-3-1)22-18-9-16(12-21-13-18)19-7-6-14-8-15(19)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2
InChIKeyMLPOLNJAXYPDLN-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(5-phenoxy-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

6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486280
6-pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
CID 57485529
3-(5-phenoxy-3-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane
CID 22573918
4-(3-azabicyclo[3.3.1]non-6-en-6-yl)-1,2-oxazole
CID 57485715
7-[5-(4-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71460834
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
3-pyridin-3-yl-8-azabicyclo[4.3.1]dec-3-ene
CID 57485534
8-(5-phenoxy-3-pyridinyl)-4-azabicyclo[5.2.1]decane
CID 57485584
7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 71458997
3-phenoxy-5-[(E)-2-piperidin-4-ylethenyl]pyridine
CID 10016526
6-(5-propan-2-yloxy-3-pyridinyl)-3-azabicyclo[3.2.1]oct-6-ene;2,2,2-trifluoroacetic acid
CID 67271424

Frequently Asked Questions

What is the IUPAC name of 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene (CID 57486305) is 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is C1=C(c2cncc(Oc3ccccc3)c2)C2CNCC(C1)C2.
What is the InChIKey of 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is MLPOLNJAXYPDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-4-17(5-3-1)22-18-9-16(12-21-13-18)19-7-6-14-8-15(19)11-20-10-14/h1-5,7,9,12-15,20H,6,8,10-11H2.
What are the key properties of 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene?
6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 292.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 57486305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).