UL5
Summary
| Name: | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide |
| Formula: | C19 H21 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 323.389 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H21N3O2/c1-12-8-16(12)22-18(23)14-10-15(9-13-6-4-3-5-7-13)21-17(11-14)19(24)20-2/h3-7,10-12,16H,8-9H2,1-2H3,(H,20,24)(H,22,23)/t12-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | QEPZFLZVHFIDCF-LRDDRELGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]3C[C@@H]3C |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[CH]3C[CH]3C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3 |
