General Information of the Compound
Compound ID
CP0542916
Compound Name
(3-Ethoxy-pyridin-2-yl)-(6-methoxy-pyridin-2-yl)-amine
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Structure
Formula
C13H15N3O2
Molecular Weight
245.282
Canonical SMILES
CCOc1cccnc1Nc1cccc(OC)n1
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InChI
InChI=1S/C13H15N3O2/c1-3-18-10-6-5-9-14-13(10)16-11-7-4-8-12(15-11)17-2/h4-9H,3H2,1-2H3,(H,14,15,16)
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InChIKey
GJTVCRARAGKWSI-UHFFFAOYSA-N
Physicochemical Property
logP
2.6275
Rotatable Bonds
5
Heavy Atom Count
18
Polar Areas
56.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11149253
SID: 16227796
ChEMBL ID
CHEMBL195932
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
IC50 = 556 nM
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