C157H168F10N25O21+ — CID 159947929
2-(1,1-difluoroethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]benzamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-1-(trifluoromethyl)pyridin-1-ium-3-carboxamide;N-[6-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-5-methyl-2-pyridinyl]-3-(1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 159947929) has the molecular formula C157H168F10N25O21+ and a molecular weight of 2931.20 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]benzamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-1-(trifluoromethyl)pyridin-1-ium-3-carboxamide;N-[6-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-5-methyl-2-pyridinyl]-3-(1,3,4-oxadiazol-2-yl)benzamide.
| Compound Name | 2-(1,1-difluoroethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]benzamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-1-(trifluoromethyl)pyridin-1-ium-3-carboxamide;N-[6-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-5-methyl-2-pyridinyl]-3-(1,3,4-oxadiazol-2-yl)benzamide |
|---|---|
| PubChem CID | 159947929 |
| Molecular Formula | C157H168F10N25O21+ |
| Molecular Weight | 2931.20 g/mol |
| Exact Mass | 2929.27 |
| IUPAC Name | 2-(1,1-difluoroethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]benzamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-1-(trifluoromethyl)pyridin-1-ium-3-carboxamide;N-[6-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-5-methyl-2-pyridinyl]-3-(1,3,4-oxadiazol-2-yl)benzamide |
| SMILES | CCOc1ncc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(=O)n(CC)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccc[n+](C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1ncc(-c2nc(NC(=O)c3cccc(-c4nnco4)c3)ccc2C)cc1N1CCOCC1 |
| InChI | InChI=1S/C27H29F3N4O4.C27H32N4O4.C26H28F2N4O3.C26H27F2N3O3.C26H26N6O4.C25H25F3N4O3/c1-4-33-16-19(12-22(26(33)36)27(28,29)30)24(35)32-20-7-6-17(3)21(14-20)18-13-23(25(31-15-18)38-5-2)34-8-10-37-11-9-34;1-5-35-26-23(31-10-12-34-13-11-31)14-20(17-29-26)22-16-21(7-6-18(22)2)30-25(32)19-8-9-28-24(15-19)27(3,4)33;1-4-35-25-22(32-9-11-34-12-10-32)13-19(16-30-25)21-15-20(6-5-17(21)2)31-24(33)18-7-8-29-23(14-18)26(3,27)28;1-3-34-26-23(31-9-11-33-12-10-31)14-20(16-29-26)22-15-21(8-7-17(22)2)30-25(32)19-6-4-5-18(13-19)24(27)28;1-3-35-26-21(32-9-11-34-12-10-32)14-20(15-27-26)23-17(2)7-8-22(29-23)30-24(33)18-5-4-6-19(13-18)25-31-28-16-36-25;1-3-35-24-22(31-9-11-34-12-10-31)13-19(15-29-24)21-14-20(7-6-17(21)2)30-23(33)18-5-4-8-32(16-18)25(26,27)28/h6-7,12-16H,4-5,8-11H2,1-3H3,(H,32,35);6-9,14-17,33H,5,10-13H2,1-4H3,(H,30,32);5-8,13-16H,4,9-12H2,1-3H3,(H,31,33);4-8,13-16,24H,3,9-12H2,1-2H3,(H,30,32);4-8,13-16H,3,9-12H2,1-2H3,(H,29,30,33);4-8,13-16H,3,9-12H2,1-2H3/p+1 |
| InChIKey | HWRJWHGYZOPVFX-UHFFFAOYSA-O |
| XLogP | 27.74 |
| TPSA | 505.84 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 213 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2931.20 |
| LogP ≤ 5 | 27.74 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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