C169H182F7N33O24S — CID 159395106
2-tert-butyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide (PubChem CID 159395106) has the molecular formula C169H182F7N33O24S and a molecular weight of 3224.57 g/mol. Its IUPAC name is 2-tert-butyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide.
| Compound Name | 2-tert-butyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide |
|---|---|
| PubChem CID | 159395106 |
| Molecular Formula | C169H182F7N33O24S |
| Molecular Weight | 3224.57 g/mol |
| Exact Mass | 3222.36 |
| IUPAC Name | 2-tert-butyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;3-(difluoromethyl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]benzamide;2-(difluoromethyl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide |
| SMILES | CCn1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)n(C)c(=O)c3)c2)cc(C(F)(F)F)c1=O.Cc1ncc(NC(=O)c2cccc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccccc2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1 |
| InChI | InChI=1S/C26H31N5O3.C25H26F3N5O4.C25H29N5O3.C24H24F2N4O3.C23H23F2N5O3.C23H25N5O5S.C23H24N4O3/c1-17-21(19-13-23(30(5)24(32)14-19)31-8-10-34-11-9-31)15-20(16-28-17)29-25(33)18-6-7-27-22(12-18)26(2,3)4;1-4-32-14-17(9-20(24(32)36)25(26,27)28)23(35)30-18-12-19(15(2)29-13-18)16-10-21(31(3)22(34)11-16)33-5-7-37-8-6-33;1-16(2)22-11-18(5-6-26-22)25(32)28-20-14-21(17(3)27-15-20)19-12-23(29(4)24(31)13-19)30-7-9-33-10-8-30;1-15-20(18-11-21(29(2)22(31)12-18)30-6-8-33-9-7-30)13-19(14-27-15)28-24(32)17-5-3-4-16(10-17)23(25)26;1-14-18(16-10-20(29(2)21(31)11-16)30-5-7-33-8-6-30)12-17(13-27-14)28-23(32)15-3-4-26-19(9-15)22(24)25;1-15-19(17-11-21(27(2)22(29)12-17)28-6-8-33-9-7-28)13-18(14-25-15)26-23(30)16-4-5-24-20(10-16)34(3,31)32;1-16-20(14-19(15-24-16)25-23(29)17-6-4-3-5-7-17)18-12-21(26(2)22(28)13-18)27-8-10-30-11-9-27/h6-7,12-16H,8-11H2,1-5H3,(H,29,33);9-14H,4-8H2,1-3H3,(H,30,35);5-6,11-16H,7-10H2,1-4H3,(H,28,32);3-5,10-14,23H,6-9H2,1-2H3,(H,28,32);3-4,9-13,22H,5-8H2,1-2H3,(H,28,32);4-5,10-14H,6-9H2,1-3H3,(H,26,30);3-7,12-15H,8-11H2,1-2H3,(H,25,29) |
| InChIKey | LMPMRBRVDZJLRK-UHFFFAOYSA-N |
| XLogP | 21.39 |
| TPSA | 642.92 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 234 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3224.57 |
| LogP ≤ 5 | 21.39 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'} |
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