4RV
Summary
| Name: | 4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide |
| Formula: | C15 H13 N5 O |
| Formal charge: | 0 |
| Formula weight: | 279.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-amino-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 4-azanyl-8-(4-methylpyridin-3-yl)cinnoline-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3ncc(c2c1c(c(N)c(C(=O)N)nn1)ccc2)c(C)c3 |
| InChI | InChI | 1.03 | InChI=1S/C15H13N5O/c1-8-5-6-18-7-11(8)9-3-2-4-10-12(16)14(15(17)21)20-19-13(9)10/h2-7H,1H3,(H2,16,19)(H2,17,21) |
| InChIKey | InChI | 1.03 | YHEHDRMGAHEUOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1c2cccc3c(N)c(nnc23)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1ccncc1c2cccc3c(N)c(nnc23)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N |
