C136H167F3N30O7 — CID 161109483
N-(2,2-dimethylpropyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-1-carboxamide;N-(2,2-dimethylpropyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-N-(2-pyridin-3-ylethyl)-4-[4-(trifluoromethoxy)phenyl]triazole-1-carboxamide (PubChem CID 161109483) has the molecular formula C136H167F3N30O7 and a molecular weight of 2391.03 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-1-carboxamide;N-(2,2-dimethylpropyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-N-(2-pyridin-3-ylethyl)-4-[4-(trifluoromethoxy)phenyl]triazole-1-carboxamide.
| Compound Name | N-(2,2-dimethylpropyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-1-carboxamide;N-(2,2-dimethylpropyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-N-(2-pyridin-3-ylethyl)-4-[4-(trifluoromethoxy)phenyl]triazole-1-carboxamide |
|---|---|
| PubChem CID | 161109483 |
| Molecular Formula | C136H167F3N30O7 |
| Molecular Weight | 2391.03 g/mol |
| Exact Mass | 2389.36 |
| IUPAC Name | N-(2,2-dimethylpropyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-1-carboxamide;N-(2,2-dimethylpropyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-3-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-1-carboxamide;N-(2-ethylbutyl)-4-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)triazole-2-carboxamide;N-(2-ethylbutyl)-N-(2-pyridin-3-ylethyl)-4-[4-(trifluoromethoxy)phenyl]triazole-1-carboxamide |
| SMILES | CCC(CC)CN(CCc1cccnc1)C(=O)n1cc(-c2ccc(OC(F)(F)F)cc2)nn1.CCC(CC)CN(CCc1cccnc1)C(=O)n1ncc(-c2ccc(C)cc2)n1.CCC(CC)CN(CCc1ccncc1)C(=O)n1cc(-c2ccc(C)cc2)nn1.CCC(CC)CN(CCc1ccncc1)C(=O)n1ncc(-c2ccc(C)cc2)n1.Cc1ccc(-c2cn(C(=O)N(CCc3cccnc3)CC(C)(C)C)nn2)cc1.Cc1ccc(-c2cnn(C(=O)N(CCc3cccnc3)CC(C)(C)C)n2)cc1 |
| InChI | InChI=1S/C23H26F3N5O2.3C23H29N5O.2C22H27N5O/c1-3-17(4-2)15-30(13-11-18-6-5-12-27-14-18)22(32)31-16-21(28-29-31)19-7-9-20(10-8-19)33-23(24,25)26;1-4-19(5-2)17-27(15-12-20-10-13-24-14-11-20)23(29)28-25-16-22(26-28)21-8-6-18(3)7-9-21;1-4-19(5-2)16-27(15-12-20-10-13-24-14-11-20)23(29)28-17-22(25-26-28)21-8-6-18(3)7-9-21;1-4-19(5-2)17-27(14-12-20-7-6-13-24-15-20)23(29)28-25-16-22(26-28)21-10-8-18(3)9-11-21;1-17-7-9-19(10-8-17)20-15-27(25-24-20)21(28)26(16-22(2,3)4)13-11-18-6-5-12-23-14-18;1-17-7-9-19(10-8-17)20-15-24-27(25-20)21(28)26(16-22(2,3)4)13-11-18-6-5-12-23-14-18/h5-10,12,14,16-17H,3-4,11,13,15H2,1-2H3;6-11,13-14,16,19H,4-5,12,15,17H2,1-3H3;6-11,13-14,17,19H,4-5,12,15-16H2,1-3H3;6-11,13,15-16,19H,4-5,12,14,17H2,1-3H3;2*5-10,12,14-15H,11,13,16H2,1-4H3 |
| InChIKey | UJMSIOJALFDQMB-UHFFFAOYSA-N |
| XLogP | 27.40 |
| TPSA | 392.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 176 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2391.03 |
| LogP ≤ 5 | 27.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |