C209H227F12N29O24 — CID 161126634
2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-2-[(3R)-3-methylmorpholin-4-yl]-6-oxo-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[1-methyl-2-[(3R)-3-methylmorpholin-4-yl]-6-oxo-4-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-methyl-4-[2-methyl-5-(2-phenylacetyl)phenyl]-6-morpholin-4-ylpyridin-2-one;1-methyl-4-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-6-morpholin-4-ylpyridin-2-one (PubChem CID 161126634) has the molecular formula C209H227F12N29O24 and a molecular weight of 3757.27 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-2-[(3R)-3-methylmorpholin-4-yl]-6-oxo-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[1-methyl-2-[(3R)-3-methylmorpholin-4-yl]-6-oxo-4-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-methyl-4-[2-methyl-5-(2-phenylacetyl)phenyl]-6-morpholin-4-ylpyridin-2-one;1-methyl-4-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-6-morpholin-4-ylpyridin-2-one.
| Compound Name | 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-2-[(3R)-3-methylmorpholin-4-yl]-6-oxo-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[1-methyl-2-[(3R)-3-methylmorpholin-4-yl]-6-oxo-4-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-methyl-4-[2-methyl-5-(2-phenylacetyl)phenyl]-6-morpholin-4-ylpyridin-2-one;1-methyl-4-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-6-morpholin-4-ylpyridin-2-one |
|---|---|
| PubChem CID | 161126634 |
| Molecular Formula | C209H227F12N29O24 |
| Molecular Weight | 3757.27 g/mol |
| Exact Mass | 3754.72 |
| IUPAC Name | 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[4-methyl-3-[1-methyl-2-[(3R)-3-methylmorpholin-4-yl]-6-oxo-4-pyridinyl]phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[1-methyl-2-[(3R)-3-methylmorpholin-4-yl]-6-oxo-4-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-methyl-4-[2-methyl-5-(2-phenylacetyl)phenyl]-6-morpholin-4-ylpyridin-2-one;1-methyl-4-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-6-morpholin-4-ylpyridin-2-one |
| SMILES | CCn1c(N2CCOCC2)cc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1=O.CCn1c(N2CCOCC2)cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1=O.CCn1c(N2CCOCC2)cc(-c2cc(NC(=O)c3ccnc(C(C)C)c3)ccc2C)cc1=O.CCn1c(N2CCOCC2)cc(-c2cc(NC(=O)c3ccnc(C(F)(F)CC)c3)ccc2C)cc1=O.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(C(=O)Cc2ccccc2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC[C@H]2C)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(N2CCOC[C@H]2C)n(C)c(=O)c1 |
| InChI | InChI=1S/C27H30F2N4O3.C27H31FN4O3.C27H32N4O3.C26H25F3N2O3.2C26H28F2N4O3.C25H27F2N5O3.C25H26N2O3/c1-4-27(28,29)23-14-19(8-9-30-23)26(35)31-21-7-6-18(3)22(17-21)20-15-24(32-10-12-36-13-11-32)33(5-2)25(34)16-20;1-5-32-24(31-10-12-35-13-11-31)15-20(16-25(32)33)22-17-21(7-6-18(22)2)30-26(34)19-8-9-29-23(14-19)27(3,4)28;1-5-31-25(30-10-12-34-13-11-30)15-21(16-26(31)32)23-17-22(7-6-19(23)4)29-27(33)20-8-9-28-24(14-20)18(2)3;1-17-6-7-19(23(32)13-18-4-3-5-21(12-18)26(27,28)29)14-22(17)20-15-24(30(2)25(33)16-20)31-8-10-34-11-9-31;1-16-5-6-20(30-25(34)18-7-8-29-22(11-18)26(3,27)28)14-21(16)19-12-23(31(4)24(33)13-19)32-9-10-35-15-17(32)2;1-4-32-23(31-9-11-35-12-10-31)14-19(15-24(32)33)21-16-20(6-5-17(21)2)30-25(34)18-7-8-29-22(13-18)26(3,27)28;1-15-14-35-8-7-32(15)22-10-18(11-23(33)31(22)4)20-12-19(13-29-16(20)2)30-24(34)17-5-6-28-21(9-17)25(3,26)27;1-18-8-9-20(23(28)14-19-6-4-3-5-7-19)15-22(18)21-16-24(26(2)25(29)17-21)27-10-12-30-13-11-27/h6-9,14-17H,4-5,10-13H2,1-3H3,(H,31,35);6-9,14-17H,5,10-13H2,1-4H3,(H,30,34);6-9,14-18H,5,10-13H2,1-4H3,(H,29,33);3-7,12,14-16H,8-11,13H2,1-2H3;5-8,11-14,17H,9-10,15H2,1-4H3,(H,30,34);5-8,13-16H,4,9-12H2,1-3H3,(H,30,34);5-6,9-13,15H,7-8,14H2,1-4H3,(H,30,34);3-9,15-17H,10-14H2,1-2H3/t;;;;17-;;15-;/m....1.1./s1 |
| InChIKey | ULQKAKULKWIBSK-JQEOEFGISA-N |
| XLogP | 34.60 |
| TPSA | 574.73 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 47 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 274 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3757.27 |
| LogP ≤ 5 | 34.60 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 47 |
| Structural Alerts | {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'} |
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