L7O
Summary
| Name: | N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide |
| Synonyms: | 3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one |
| Formula: | C22 H24 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 404.465 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide |
| OpenEye OEToolkits | 1.7.2 | N-[5-[2-(methylamino)pyrimidin-4-yl]-2-oxidanylidene-1H-pyridin-3-yl]-4-piperidin-1-yl-benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc3)N4CCCCC4 |
| SMILES_CANONICAL | CACTVS | 3.370 | CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4 |
| SMILES | CACTVS | 3.370 | CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.2 | CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4 |
| InChI | InChI | 1.03 | InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27) |
| InChIKey | InChI | 1.03 | MKSQDWBNZVGINB-UHFFFAOYSA-N |
