UGP
Summary
| Name: | 2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C15 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 251.283 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(3-cyanophenyl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C(Cc1cccc(C#N)c1)=O)c2cnccc2C |
| InChI | InChI | 1.03 | InChI=1S/C15H13N3O/c1-11-5-6-17-10-14(11)18-15(19)8-12-3-2-4-13(7-12)9-16/h2-7,10H,8H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | OTFRLGRHXMKEAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cccc(c2)C#N |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cccc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cccc(c2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cccc(c2)C#N |
