C137H135Cl3F16N26O14 — CID 158377546
6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)propyl-methylamino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[methyl(oxan-4-yl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 158377546) has the molecular formula C137H135Cl3F16N26O14 and a molecular weight of 2780.08 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)propyl-methylamino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[methyl(oxan-4-yl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)propyl-methylamino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[methyl(oxan-4-yl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158377546 |
| Molecular Formula | C137H135Cl3F16N26O14 |
| Molecular Weight | 2780.08 g/mol |
| Exact Mass | 2776.95 |
| IUPAC Name | 6-[butyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-ylpyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-fluoro-3-pyridinyl)-6-[methyl(propyl)amino]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[methyl(propyl)amino]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[3-(dimethylamino)propyl-methylamino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[methyl(oxan-4-yl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CCCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C)nc1.CCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncc(F)c1.CCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncnc1.CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cccnc1.CN(C)CCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.CN(c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1)C1CCOCC1 |
| InChI | InChI=1S/C24H26F3N5O2.C24H23F3N4O3.C24H25F3N4O2.C22H20ClF3N4O2.C22H21ClF2N4O3.C21H20ClF2N5O2/c1-31(2)12-5-13-32(3)22-21(17-6-4-11-28-15-17)14-18(16-29-22)23(33)30-19-7-9-20(10-8-19)34-24(25,26)27;1-31(19-8-11-33-12-9-19)22-21(16-3-2-10-28-14-16)13-17(15-29-22)23(32)30-18-4-6-20(7-5-18)34-24(25,26)27;1-4-5-12-31(3)22-21(17-7-6-16(2)28-14-17)13-18(15-29-22)23(32)30-19-8-10-20(11-9-19)33-24(25,26)27;1-3-8-30(2)20-19(14-9-16(24)13-27-11-14)10-15(12-28-20)21(31)29-17-4-6-18(7-5-17)32-22(23,25)26;1-2-29(10-11-30)20-19(15-4-3-9-26-13-15)12-16(14-27-20)21(31)28-17-5-7-18(8-6-17)32-22(23,24)25;1-3-8-29(2)19-18(15-10-25-13-26-11-15)9-14(12-27-19)20(30)28-16-4-6-17(7-5-16)31-21(22,23)24/h4,6-11,14-16H,5,12-13H2,1-3H3,(H,30,33);2-7,10,13-15,19H,8-9,11-12H2,1H3,(H,30,32);6-11,13-15H,4-5,12H2,1-3H3,(H,30,32);4-7,9-13H,3,8H2,1-2H3,(H,29,31);3-9,12-14,30H,2,10-11H2,1H3,(H,28,31);4-7,9-13H,3,8H2,1-2H3,(H,28,30) |
| InChIKey | GVJSUQYINYSQBP-UHFFFAOYSA-N |
| XLogP | 30.17 |
| TPSA | 449.69 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2780.08 |
| LogP ≤ 5 | 30.17 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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