C130H127Cl6F5N14O18S4 — CID 159718708
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;6-(3-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(4-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(4-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 159718708) has the molecular formula C130H127Cl6F5N14O18S4 and a molecular weight of 2609.50 g/mol. Its IUPAC name is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;6-(3-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(4-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(4-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide.
| Compound Name | N-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;6-(3-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(4-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(4-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159718708 |
| Molecular Formula | C130H127Cl6F5N14O18S4 |
| Molecular Weight | 2609.50 g/mol |
| Exact Mass | 2604.64 |
| IUPAC Name | N-[(2-chloro-4-methylsulfonylphenyl)methyl]-5-(3-chlorophenyl)pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-(2-methylsulfonylphenoxy)pyridine-3-carboxamide;N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide;6-(3-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(4-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(4-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide |
| SMILES | CC(C)CCNC(=O)c1ccc(-c2ccc(Cl)cc2)nc1.CC(C)CCNC(=O)c1ccc(-c2ccc(F)cc2)nc1.CC(C)CCNC(=O)c1ccc(-c2cccc(Cl)c2)nc1.CC(C)CCNC(=O)c1ccc(-c2ccccc2F)nc1.CS(=O)(=O)c1ccc(CNC(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)nc2)c(Cl)c1.CS(=O)(=O)c1ccc(CNC(=O)c2ccc(Oc3ccccc3S(C)(=O)=O)nc2)c(Cl)c1.CS(=O)(=O)c1ccc(CNC(=O)c2cncc(-c3cccc(Cl)c3)c2)c(Cl)c1 |
| InChI | InChI=1S/C21H16ClF3N2O5S.C21H19ClN2O6S2.C20H16Cl2N2O3S.2C17H19ClN2O.2C17H19FN2O/c1-33(29,30)17-8-2-13(18(22)10-17)11-27-20(28)14-3-9-19(26-12-14)31-15-4-6-16(7-5-15)32-21(23,24)25;1-31(26,27)16-9-7-14(17(22)11-16)12-24-21(25)15-8-10-20(23-13-15)30-18-5-3-4-6-19(18)32(2,28)29;1-28(26,27)18-6-5-14(19(22)9-18)12-24-20(25)16-7-15(10-23-11-16)13-3-2-4-17(21)8-13;1-12(2)9-10-19-17(21)14-5-8-16(20-11-14)13-3-6-15(18)7-4-13;1-12(2)8-9-19-17(21)14-6-7-16(20-11-14)13-4-3-5-15(18)10-13;1-12(2)9-10-19-17(21)14-5-8-16(20-11-14)13-3-6-15(18)7-4-13;1-12(2)9-10-19-17(21)13-7-8-16(20-11-13)14-5-3-4-6-15(14)18/h2-10,12H,11H2,1H3,(H,27,28);3-11,13H,12H2,1-2H3,(H,24,25);2-11H,12H2,1H3,(H,24,25);3-8,11-12H,9-10H2,1-2H3,(H,19,21);3-7,10-12H,8-9H2,1-2H3,(H,19,21);2*3-8,11-12H,9-10H2,1-2H3,(H,19,21) |
| InChIKey | MZTITCHJGHTOLG-UHFFFAOYSA-N |
| XLogP | 28.10 |
| TPSA | 458.18 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2609.50 |
| LogP ≤ 5 | 28.10 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 25 |