NL1
Summary
| Name: | 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide |
| Formula: | C15 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 301.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H19N5O2/c16-14(22)11-7-10-3-6-20(15(10)18-8-11)9-13(21)19-12-1-4-17-5-2-12/h3,6-8,12,17H,1-2,4-5,9H2,(H2,16,22)(H,19,21) |
| InChIKey | InChI | 1.06 | HSAVAVFDIYQNAY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1cnc2n(CC(=O)NC3CCNCC3)ccc2c1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1cnc2n(CC(=O)NC3CCNCC3)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn(c2c1cc(cn2)C(=O)N)CC(=O)NC3CCNCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(c2c1cc(cn2)C(=O)N)CC(=O)NC3CCNCC3 |
