General Information of the Compound
Compound ID
CP0232365
Compound Name
4-(2-pyrrolidin-1-ylethyl)pyridine
    Show/Hide
Synonyms
4-(2-(pyrrolidin-1-yl)ethyl)pyridine
4-(2-PYRROLIDINOETHYL)PYRIDINE
4-(2-Tetrahydro-1H-pyrrol-1-ylethyl)pyridine
4-(2-pyrrolidin-1-yl-ethyl)-pyridine
4-(2-pyrrolidin-1-ylethyl)pyridine
4-(2-pyrrolidinylethyl)pyridine
4-[2-(pyrrolidin-1-yl)ethyl]pyridine
67580-65-8
AC1L60Z5
AC1Q28PY
AC1Q4WU8
AKOS006227946
BDBM50372345
CHEMBL405070
CTK2F7988
DTXSID30285782
HMS2752A23
MCULE-2911571696
MLS000737070
MolPort-000-145-638
NSC-42776
NSC42776
SBB089201
SCHEMBL3993201
SMR000038089
STL324986
VP14627
ZINC163336
    Show/Hide
Structure
Formula
C11H16N2
Molecular Weight
176.263
Canonical SMILES
C(Cc1ccncc1)N1CCCC1
    Show/Hide
InChI
InChI=1S/C11H16N2/c1-2-9-13(8-1)10-5-11-3-6-12-7-4-11/h3-4,6-7H,1-2,5,8-10H2
    Show/Hide
InChIKey
GNJYGFKCUMGKOY-UHFFFAOYSA-N
CAS
67580-65-8
Physicochemical Property
logP
1.7199
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
13

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 238432
ChEMBL ID
CHEMBL405070
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: PT01194, Histamine H3 receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 350 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(2-(pyrrolidin-1-yl)ethyl)pyridine )
Drug Name 4-(2-(pyrrolidin-1-yl)ethyl)pyridine
Target(s)
Histamine H3 receptor (H3R)
 Target Info 
Inhibitor