X3K
Summary
| Name: | N-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide |
| Synonyms: | N-(3-(1h-pyrrolo[2,3-B]pyridin-4-yl)phenyl)acrylamide |
| Formula: | C16 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 263.294 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H13N3O/c1-2-15(20)19-12-5-3-4-11(10-12)13-6-8-17-16-14(13)7-9-18-16/h2-10H,1H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.06 | JFALFLGHYNWCLU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CC(=O)Nc1cccc(c1)c2ccnc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | C=CC(=O)Nc1cccc(c1)c2ccnc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1cccc(c1)c2ccnc3c2cc[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | C=CC(=O)Nc1cccc(c1)c2ccnc3c2cc[nH]3 |
