General Information of the Compound
Compound ID
CP0050247
Compound Name
2-(2-pyrrolidin-1-ylethyl)pyridine
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Synonyms
2-(2-(pyrrolidin-1-yl)ethyl)pyridine
2-(2-Pyrrolidin-1-yl-ethyl)-pyridine
2-(2-Pyrrolidinoethyl)Pyridine
2-(2-Pyrrolizinoethyl)pyridine
2-(2-pyrrolidin-1-ylethyl)pyridine
2-[2-(1-Pyrrolidinyl)ethyl]pyridine
2-[2-(1-Pyrrolidinyl)ethyl]pyridine #
2-[2-(Pyrrolidin-1-yl)ethyl]pyridine
6311-90-6
AC1L60PK
AC1Q28PR
AC1Q4VNT
AKOS006243249
BDBM50372289
CHEMBL270595
CTK5B7636
DTXSID60285694
MCULE-8128571557
N-(2-(2-pyridyl)ethyl)pyrrolidine
NSC-42644
NSC42644
OXEFHEYEQUISKC-UHFFFAOYSA-N
Pyridine,2-[2-(1-pyrrolidinyl)ethyl]-
SCHEMBL868571
ZINC393798
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Structure
Formula
C11H16N2
Molecular Weight
176.263
Canonical SMILES
C(Cc1ccccn1)N1CCCC1
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InChI
InChI=1S/C11H16N2/c1-2-7-12-11(5-1)6-10-13-8-3-4-9-13/h1-2,5,7H,3-4,6,8-10H2
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InChIKey
OXEFHEYEQUISKC-UHFFFAOYSA-N
CAS
6311-90-6
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).

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PubChem ID
CID: 238317
ChEMBL ID
CHEMBL270595
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 ( 2-(2-(pyrrolidin-1-yl)ethyl)pyridine )
Drug Name 2-(2-(pyrrolidin-1-yl)ethyl)pyridine
Target(s)
Histamine H3 receptor (H3R)
 Target Info 
Inhibitor