S8B
Summary
| Name: | ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide |
| Formula: | C16 H15 N3 O |
| Formal charge: | 0 |
| Formula weight: | 265.31 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20) |
| InChIKey | InChI | 1.03 | STAFRSGTRKNXHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 |
| SMILES | CACTVS | 3.385 | CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)NC(=O)c1ccc(cn1)C#Cc2ccncc2 |
