C131H149Cl2F7N18O9S2 — CID 162192843
5-(4-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;5-(3-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;N-(3-methylbutyl)-6-pyrazol-1-ylpyridine-3-carboxamide;N-(3-methylbutyl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(3-methylbutyl)-6-thiophen-2-ylpyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 162192843) has the molecular formula C131H149Cl2F7N18O9S2 and a molecular weight of 2387.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;5-(3-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;N-(3-methylbutyl)-6-pyrazol-1-ylpyridine-3-carboxamide;N-(3-methylbutyl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(3-methylbutyl)-6-thiophen-2-ylpyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
| Compound Name | 5-(4-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;5-(3-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;N-(3-methylbutyl)-6-pyrazol-1-ylpyridine-3-carboxamide;N-(3-methylbutyl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(3-methylbutyl)-6-thiophen-2-ylpyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 162192843 |
| Molecular Formula | C131H149Cl2F7N18O9S2 |
| Molecular Weight | 2387.78 g/mol |
| Exact Mass | 2385.05 |
| IUPAC Name | 5-(4-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;6-(2-chlorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;5-(3-fluorophenyl)-N-(3-methylbutyl)pyridine-3-carboxamide;N-(3-methylbutyl)-6-pyrazol-1-ylpyridine-3-carboxamide;N-(3-methylbutyl)-5-thiophen-2-ylpyridine-3-carboxamide;N-(3-methylbutyl)-6-thiophen-2-ylpyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-(3-methylbutyl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
| SMILES | CC(C)CCNC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1.CC(C)CCNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)nc1.CC(C)CCNC(=O)c1ccc(-c2ccccc2Cl)nc1.CC(C)CCNC(=O)c1ccc(-c2cccs2)nc1.CC(C)CCNC(=O)c1ccc(-n2cccn2)nc1.CC(C)CCNC(=O)c1cncc(-c2ccc(Cl)cc2)c1.CC(C)CCNC(=O)c1cncc(-c2cccc(F)c2)c1.CC(C)CCNC(=O)c1cncc(-c2cccs2)c1 |
| InChI | InChI=1S/C18H19F3N2O2.C18H19F3N2O.2C17H19ClN2O.C17H19FN2O.2C15H18N2OS.C14H18N4O/c1-12(2)9-10-22-17(24)14-5-8-16(23-11-14)13-3-6-15(7-4-13)25-18(19,20)21;1-12(2)9-10-22-17(24)14-5-8-16(23-11-14)13-3-6-15(7-4-13)18(19,20)21;1-12(2)7-8-20-17(21)15-9-14(10-19-11-15)13-3-5-16(18)6-4-13;1-12(2)9-10-19-17(21)13-7-8-16(20-11-13)14-5-3-4-6-15(14)18;1-12(2)6-7-20-17(21)15-8-14(10-19-11-15)13-4-3-5-16(18)9-13;1-11(2)7-8-16-15(18)12-5-6-13(17-10-12)14-4-3-9-19-14;1-11(2)5-6-17-15(18)13-8-12(9-16-10-13)14-4-3-7-19-14;1-11(2)6-8-15-14(19)12-4-5-13(16-10-12)18-9-3-7-17-18/h3-8,11-12H,9-10H2,1-2H3,(H,22,24);3-8,11-12H,9-10H2,1-2H3,(H,22,24);3-6,9-12H,7-8H2,1-2H3,(H,20,21);3-8,11-12H,9-10H2,1-2H3,(H,19,21);3-5,8-12H,6-7H2,1-2H3,(H,20,21);3-6,9-11H,7-8H2,1-2H3,(H,16,18);3-4,7-11H,5-6H2,1-2H3,(H,17,18);3-5,7,9-11H,6,8H2,1-2H3,(H,15,19) |
| InChIKey | ZQNUHOHETZCGEF-UHFFFAOYSA-N |
| XLogP | 30.20 |
| TPSA | 362.97 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2387.78 |
| LogP ≤ 5 | 30.20 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 21 |