ULK
Summary
| Name: | ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide |
| Formula: | C19 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 339.388 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-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H21N3O3/c1-11-8-14(11)22-18(24)13-9-15(21-16(10-13)19(25)20-2)17(23)12-6-4-3-5-7-12/h3-7,9-11,14,17,23H,8H2,1-2H3,(H,20,25)(H,22,24)/t11-,14-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | OJSKWCXPUVTNCF-YLVFBTJISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(cc(n1)[C@@H](O)c2ccccc2)C(=O)N[C@H]3C[C@@H]3C |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc(n1)[CH](O)c2ccccc2)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)[C@H](c3ccccc3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)C(c3ccccc3)O |
