2-(1-methoxyindol-3-yl)-N-(4-pyridyl)acetamide
PubChem CID: 141490273
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| Compound Synonyms | CHEMBL4800616, 2-(1-methoxyindol-3-yl)-N-(4-pyridyl)acetamide |
|---|---|
| Topological Polar Surface Area | 56.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-methoxyindol-3-yl)-N-pyridin-4-ylacetamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C16H15N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IFPVPGVLOBQFSA-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.7 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.61 |
| Compound Name | 2-(1-methoxyindol-3-yl)-N-(4-pyridyl)acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.116 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 281.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1545244285714285 |
| Inchi | InChI=1S/C16H15N3O2/c1-21-19-11-12(14-4-2-3-5-15(14)19)10-16(20)18-13-6-8-17-9-7-13/h2-9,11H,10H2,1H3,(H,17,18,20) |
| Smiles | CON1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=NC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients