C126H141Cl4F9N28O7 — CID 161078256
4-(3-chloro-2-pyridinyl)-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;2-methyl-N-(3-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 161078256) has the molecular formula C126H141Cl4F9N28O7 and a molecular weight of 2472.50 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;2-methyl-N-(3-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
| Compound Name | 4-(3-chloro-2-pyridinyl)-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;2-methyl-N-(3-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide |
|---|---|
| PubChem CID | 161078256 |
| Molecular Formula | C126H141Cl4F9N28O7 |
| Molecular Weight | 2472.50 g/mol |
| Exact Mass | 2469.01 |
| IUPAC Name | 4-(3-chloro-2-pyridinyl)-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(4-methylphenyl)piperazine-1-carboxamide;2-methyl-N-(3-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;2-methyl-N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;N-(4-methylphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide |
| SMILES | Cc1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1.Cc1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2C)cc1.Cc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.Cc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C)cc1.Cc1cccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2C)c1.Cc1cccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)c1.Cc1cccc(NC(=O)N2CCN(c3ncccc3Cl)CC2C)c1 |
| InChI | InChI=1S/2C19H21F3N4O.2C18H21ClN4O.C18H19F3N4O.2C17H19ClN4O/c1-13-5-3-6-15(11-13)24-18(27)26-10-9-25(12-14(26)2)17-16(19(20,21)22)7-4-8-23-17;1-13-5-7-15(8-6-13)24-18(27)26-11-10-25(12-14(26)2)17-16(19(20,21)22)4-3-9-23-17;1-13-5-3-6-15(11-13)21-18(24)23-10-9-22(12-14(23)2)17-16(19)7-4-8-20-17;1-13-5-7-15(8-6-13)21-18(24)23-11-10-22(12-14(23)2)17-16(19)4-3-9-20-17;1-13-4-6-14(7-5-13)23-17(26)25-11-9-24(10-12-25)16-15(18(19,20)21)3-2-8-22-16;1-13-4-2-5-14(12-13)20-17(23)22-10-8-21(9-11-22)16-15(18)6-3-7-19-16;1-13-4-6-14(7-5-13)20-17(23)22-11-9-21(10-12-22)16-15(18)3-2-8-19-16/h3-8,11,14H,9-10,12H2,1-2H3,(H,24,27);3-9,14H,10-12H2,1-2H3,(H,24,27);3-8,11,14H,9-10,12H2,1-2H3,(H,21,24);3-9,14H,10-12H2,1-2H3,(H,21,24);2-8H,9-12H2,1H3,(H,23,26);2-7,12H,8-11H2,1H3,(H,20,23);2-8H,9-12H2,1H3,(H,20,23) |
| InChIKey | UFOLFCKQHNQOEU-UHFFFAOYSA-N |
| XLogP | 26.43 |
| TPSA | 339.29 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2472.50 |
| LogP ≤ 5 | 26.43 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 21 |