C179H198F5N31O24 — CID 162087316
2-(azetidin-1-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(difluoromethyl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-[2-methoxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-6-oxo-5-(3-oxomorpholin-4-yl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 162087316) has the molecular formula C179H198F5N31O24 and a molecular weight of 3262.74 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(difluoromethyl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-[2-methoxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-6-oxo-5-(3-oxomorpholin-4-yl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide.
| Compound Name | 2-(azetidin-1-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(difluoromethyl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-[2-methoxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-6-oxo-5-(3-oxomorpholin-4-yl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 162087316 |
| Molecular Formula | C179H198F5N31O24 |
| Molecular Weight | 3262.74 g/mol |
| Exact Mass | 3260.51 |
| IUPAC Name | 2-(azetidin-1-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(difluoromethyl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-(dimethylamino)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;2-[ethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;5-[5-[2-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]acetyl]-2-methyl-3-pyridinyl]-1-methyl-3-morpholin-4-ylpyridin-2-one;2-[2-methoxyethyl(methyl)amino]-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[1-methyl-6-oxo-5-(3-oxomorpholin-4-yl)-3-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide |
| SMILES | CCN(C)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.COCCN(C)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2=O)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(N(C)C)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(N3CCC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(C(=O)Cc2cncc(C(C)(C)O)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ncc(C(=O)Cc2cncc(C(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1 |
| InChI | InChI=1S/C27H33N5O4.C26H29N5O3.C26H31N5O3.C26H30N4O4.C25H22F3N3O4.C25H29N5O3.C24H24F2N4O3/c1-19-5-6-22(29-26(33)20-7-8-28-25(16-20)30(2)9-12-35-4)17-23(19)21-15-24(27(34)31(3)18-21)32-10-13-36-14-11-32;1-18-4-5-21(28-25(32)19-6-7-27-24(15-19)31-8-3-9-31)16-22(18)20-14-23(26(33)29(2)17-20)30-10-12-34-13-11-30;1-5-29(3)24-15-19(8-9-27-24)25(32)28-21-7-6-18(2)22(16-21)20-14-23(26(33)30(4)17-20)31-10-12-34-13-11-31;1-17-22(20-12-23(25(32)29(4)16-20)30-5-7-34-8-6-30)11-19(14-28-17)24(31)10-18-9-21(15-27-13-18)26(2,3)33;1-15-6-7-19(29-23(33)16-4-3-5-18(10-16)25(26,27)28)12-20(15)17-11-21(24(34)30(2)13-17)31-8-9-35-14-22(31)32;1-17-5-6-20(27-24(31)18-7-8-26-23(14-18)28(2)3)15-21(17)19-13-22(25(32)29(4)16-19)30-9-11-33-12-10-30;1-15-20(19-10-21(24(32)29(2)14-19)30-3-5-33-6-4-30)9-17(13-28-15)22(31)8-16-7-18(23(25)26)12-27-11-16/h5-8,15-18H,9-14H2,1-4H3,(H,29,33);4-7,14-17H,3,8-13H2,1-2H3,(H,28,32);6-9,14-17H,5,10-13H2,1-4H3,(H,28,32);9,11-16,33H,5-8,10H2,1-4H3;3-7,10-13H,8-9,14H2,1-2H3,(H,29,33);5-8,13-16H,9-12H2,1-4H3,(H,27,31);7,9-14,23H,3-6,8H2,1-2H3 |
| InChIKey | ZDDHAUFVXJHPHC-UHFFFAOYSA-N |
| XLogP | 22.18 |
| TPSA | 583.54 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 239 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3262.74 |
| LogP ≤ 5 | 22.18 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 49 |