C131H140F11N19O16 — CID 159857841
3-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-(methylaminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 159857841) has the molecular formula C131H140F11N19O16 and a molecular weight of 2445.66 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-(methylaminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide.
| Compound Name | 3-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-(methylaminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 159857841 |
| Molecular Formula | C131H140F11N19O16 |
| Molecular Weight | 2445.66 g/mol |
| Exact Mass | 2444.05 |
| IUPAC Name | 3-(aminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;3-(hydroxymethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;3-(methylaminomethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide |
| SMILES | CNCc1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc(C(F)(F)F)c1.Cc1ccc(NC(=O)c2cc(CN)cc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2cc(CO)cc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1 |
| InChI | InChI=1S/C27H29F3N4O3.C27H32N4O3.C26H27F3N4O3.C26H26F3N3O4.C25H26F2N4O3/c1-17-4-5-22(32-25(35)19-10-18(15-31-2)11-21(12-19)27(28,29)30)14-23(17)20-13-24(26(36)33(3)16-20)34-6-8-37-9-7-34;1-18-6-7-21(29-26(33)19-8-9-28-23(14-19)27(2,3)4)17-22(18)20-15-24(30(5)25(32)16-20)31-10-12-34-13-11-31;1-16-3-4-21(31-24(34)18-9-17(14-30)10-20(11-18)26(27,28)29)13-22(16)19-12-23(25(35)32(2)15-19)33-5-7-36-8-6-33;1-16-3-4-21(30-24(34)18-9-17(15-33)10-20(11-18)26(27,28)29)13-22(16)19-12-23(25(35)31(2)14-19)32-5-7-36-8-6-32;1-16-4-5-19(29-24(33)17-6-7-28-21(12-17)25(2,26)27)15-20(16)18-13-22(30(3)23(32)14-18)31-8-10-34-11-9-31/h4-5,10-14,16,31H,6-9,15H2,1-3H3,(H,32,35);6-9,14-17H,10-13H2,1-5H3,(H,29,33);3-4,9-13,15H,5-8,14,30H2,1-2H3,(H,31,34);3-4,9-14,33H,5-8,15H2,1-2H3,(H,30,34);4-7,12-15H,8-11H2,1-3H3,(H,29,33) |
| InChIKey | NQTIXQFHQZLNQF-UHFFFAOYSA-N |
| XLogP | 20.17 |
| TPSA | 401.91 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 177 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2445.66 |
| LogP ≤ 5 | 20.17 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 30 |