C151H189F7N26O14 — CID 158612487
N-butyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methylpyridazine-3-carboxamide;6-[5-(cyclobutylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide;N-cyclohexyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-cyclopentyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridine-3-carboxamide;N-ethyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-propan-2-ylpyridazine-3-carboxamide;6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methyl-N-(2-methylpropyl)pyridazine-3-carboxamide (PubChem CID 158612487) has the molecular formula C151H189F7N26O14 and a molecular weight of 2725.33 g/mol. Its IUPAC name is N-butyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methylpyridazine-3-carboxamide;6-[5-(cyclobutylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide;N-cyclohexyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-cyclopentyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridine-3-carboxamide;N-ethyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-propan-2-ylpyridazine-3-carboxamide;6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methyl-N-(2-methylpropyl)pyridazine-3-carboxamide.
| Compound Name | N-butyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methylpyridazine-3-carboxamide;6-[5-(cyclobutylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide;N-cyclohexyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-cyclopentyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridine-3-carboxamide;N-ethyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-propan-2-ylpyridazine-3-carboxamide;6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methyl-N-(2-methylpropyl)pyridazine-3-carboxamide |
|---|---|
| PubChem CID | 158612487 |
| Molecular Formula | C151H189F7N26O14 |
| Molecular Weight | 2725.33 g/mol |
| Exact Mass | 2723.48 |
| IUPAC Name | N-butyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methylpyridazine-3-carboxamide;6-[5-(cyclobutylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide;N-cyclohexyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-cyclopentyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide;N-(2,2-dimethylpropyl)-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]pyridine-3-carboxamide;N-ethyl-6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-propan-2-ylpyridazine-3-carboxamide;6-[3-fluoro-2-methyl-5-(propylcarbamoyl)phenyl]-N-methyl-N-(2-methylpropyl)pyridazine-3-carboxamide |
| SMILES | CCCCN(C)C(=O)c1ccc(-c2cc(C(=O)NCCC)cc(F)c2C)nn1.CCCNC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)N(C)CC(C)C)nn2)c1.CCCNC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)N(CC)C(C)C)nn2)c1.CCCNC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NC3CCCC3)nn2)c1.CCCNC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NC3CCCCC3)nn2)c1.CCCNC(=O)c1cc(F)c(C)c(-c2ccc(C(=O)NCC(C)(C)C)cn2)c1.Cc1c(F)cc(C(=O)NC2CCC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1 |
| InChI | InChI=1S/C23H28FN3O2.C22H27FN4O2.C22H28FN3O2.C21H25FN4O2.3C21H27FN4O2/c1-14-18(10-16(11-19(14)24)22(29)27-17-6-5-7-17)20-9-8-15(12-25-20)21(28)26-13-23(2,3)4;1-3-11-24-21(28)15-12-17(14(2)18(23)13-15)19-9-10-20(27-26-19)22(29)25-16-7-5-4-6-8-16;1-6-9-24-21(28)16-10-17(14(2)18(23)11-16)19-8-7-15(12-25-19)20(27)26-13-22(3,4)5;1-3-10-23-20(27)14-11-16(13(2)17(22)12-14)18-8-9-19(26-25-18)21(28)24-15-6-4-5-7-15;1-6-9-23-20(27)15-10-16(14(4)17(22)11-15)18-7-8-19(25-24-18)21(28)26(5)12-13(2)3;1-6-10-23-20(27)15-11-16(14(5)17(22)12-15)18-8-9-19(25-24-18)21(28)26(7-2)13(3)4;1-5-7-11-26(4)21(28)19-9-8-18(24-25-19)16-12-15(13-17(22)14(16)3)20(27)23-10-6-2/h8-12,17H,5-7,13H2,1-4H3,(H,26,28)(H,27,29);9-10,12-13,16H,3-8,11H2,1-2H3,(H,24,28)(H,25,29);7-8,10-12H,6,9,13H2,1-5H3,(H,24,28)(H,26,27);8-9,11-12,15H,3-7,10H2,1-2H3,(H,23,27)(H,24,28);7-8,10-11,13H,6,9,12H2,1-5H3,(H,23,27);8-9,11-13H,6-7,10H2,1-5H3,(H,23,27);8-9,12-13H,5-7,10-11H2,1-4H3,(H,23,27) |
| InChIKey | HWZUYTURMJRALN-UHFFFAOYSA-N |
| XLogP | 26.23 |
| TPSA | 535.71 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2725.33 |
| LogP ≤ 5 | 26.23 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 26 |