General Information of the Compound
Compound ID
CP0374324
Compound Name
N-(6-methylpyridin-2-yl)-6-pyridin-3-ylpyridine-3-carboxamide
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Structure
Formula
C17H14N4O
Molecular Weight
290.326
Canonical SMILES
Cc1cccc(NC(=O)c2ccc(nc2)-c2cccnc2)n1
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InChI
InChI=1S/C17H14N4O/c1-12-4-2-6-16(20-12)21-17(22)14-7-8-15(19-11-14)13-5-3-9-18-10-13/h2-11H,1H3,(H,20,21,22)
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InChIKey
KPQQVSZUIBYUBT-UHFFFAOYSA-N
Physicochemical Property
logP
3.09932
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
67.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44158094
SID: 85158151
ChEMBL ID
CHEMBL493572
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 > 3000 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 2480 nM
   TI
   LI
   LO
   TS