3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyridine
| Internal ID | c3e0ec26-c305-43c0-b203-efac9981caa2 |
| Taxonomy | Organoheterocyclic compounds > Pyridines and derivatives > Pyrrolidinylpyridines |
| IUPAC Name | 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyridine |
| SMILES (Canonical) | CC(C)N1CCCC1C2=CN=CC=C2 |
| SMILES (Isomeric) | CC(C)N1CCC[C@@H]1C2=CN=CC=C2 |
| InChI | InChI=1S/C12H18N2/c1-10(2)14-8-4-6-12(14)11-5-3-7-13-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t12-/m1/s1 |
| InChI Key | OJOQSAUJSDBWFO-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.28 g/mol |
| Exact Mass | 190.146998583 g/mol |
| Topological Polar Surface Area (TPSA) | 16.10 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyridine](https://plantaedb.com/storage/docs/compounds/2023/11/3-2r-1-propan-2-ylpyrrolidin-2-ylpyridine.jpg "2D Structure of 3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyridine")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.56% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.37% | 98.95% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.46% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.89% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.67% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.62% | 97.09% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 86.56% | 97.69% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.07% | 93.65% |
| CHEMBL1907589 | P17787 | Neuronal acetylcholine receptor; alpha4/beta2 | 84.15% | 94.55% |
| CHEMBL1907599 | P05556 | Integrin alpha-4/beta-1 | 82.74% | 92.86% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 82.70% | 91.43% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.16% | 85.14% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.05% | 98.33% |
| CHEMBL1075145 | P55072 | Transitional endoplasmic reticulum ATPase | 81.18% | 98.50% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.59% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.52% | 90.71% |
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.
To see more specific details click the taxa you are interested in.
| Nicotiana tabacum |
| PubChem | 68334878 |
| LOTUS | LTS0063759 |
| wikiData | Q105193186 |