1,2,3,6-Tetrahydro-2,3'-bipyridine

Details

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Internal ID 7b567e65-e0cc-4d4c-af89-67c720610924
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > Amines > Aralkylamines
IUPAC Name 3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
SMILES (Canonical) C1C=CCNC1C2=CN=CC=C2
SMILES (Isomeric) C1C=CCNC1C2=CN=CC=C2
InChI InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2
InChI Key SOPPBXUYQGUQHE-UHFFFAOYSA-N
Popularity 48 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12N2
Molecular Weight 160.22 g/mol
Exact Mass 160.100048391 g/mol
Topological Polar Surface Area (TPSA) 24.90 Ų
XlogP 0.90

Synonyms

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2743-90-0
1,2,3,6-Tetrahydro-2,3'-bipyridine
D,L-Anatabine
3-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
MFCD00078278
(D,L)-Anatabine
(+/-)-Anatabine
(+/-)-1,2,3,6-Tetrahydro-2,3'-bipyridine
SCHEMBL229516
CHEMBL5185560
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1,2,3,6-Tetrahydro-2,3'-bipyridine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1907589 P17787 Neuronal acetylcholine receptor; alpha4/beta2 94.65% 94.55%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.42% 94.45%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 91.06% 85.30%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.71% 97.09%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.80% 96.09%
CHEMBL2996 Q05655 Protein kinase C delta 89.04% 97.79%
CHEMBL255 P29275 Adenosine A2b receptor 88.56% 98.59%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.54% 91.11%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 84.79% 92.88%
CHEMBL2039 P27338 Monoamine oxidase B 84.29% 92.51%
CHEMBL3920 Q04759 Protein kinase C theta 82.43% 97.69%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 81.06% 80.96%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Nicotiana alata

Cross-Links

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PubChem 261474
LOTUS LTS0079336
wikiData Q82033089