C204H224F3N31O27S — CID 162119011
2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide (PubChem CID 162119011) has the molecular formula C204H224F3N31O27S and a molecular weight of 3631.29 g/mol. Its IUPAC name is 2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide.
| Compound Name | 2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 162119011 |
| Molecular Formula | C204H224F3N31O27S |
| Molecular Weight | 3631.29 g/mol |
| Exact Mass | 3628.68 |
| IUPAC Name | 2-tert-butyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]benzamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide |
| SMILES | CCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)n(C)c(=O)c3)c2)ccn1.CCc1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)n(C)c(=O)c3)c2)ccn1.Cc1ccc(NC(=O)c2ccccc2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C3CC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(C3COC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1 |
| InChI | InChI=1S/C27H32N4O3.C26H28F2N4O3.C26H29FN4O3.C26H28N4O4.C26H28N4O3.C25H28N4O3.C24H26N4O5S.C24H25N3O3/c1-18-6-7-21(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;1-4-26(27,28)22-13-18(7-8-29-22)25(34)30-20-6-5-17(2)21(16-20)19-14-23(31(3)24(33)15-19)32-9-11-35-12-10-32;1-17-5-6-20(29-25(33)18-7-8-28-22(13-18)26(2,3)27)16-21(17)19-14-23(30(4)24(32)15-19)31-9-11-34-12-10-31;1-17-3-4-21(28-26(32)18-5-6-27-23(11-18)20-15-34-16-20)14-22(17)19-12-24(29(2)25(31)13-19)30-7-9-33-10-8-30;1-17-3-6-21(28-26(32)19-7-8-27-23(13-19)18-4-5-18)16-22(17)20-14-24(29(2)25(31)15-20)30-9-11-33-12-10-30;1-4-20-13-18(7-8-26-20)25(31)27-21-6-5-17(2)22(16-21)19-14-23(28(3)24(30)15-19)29-9-11-32-12-10-29;1-16-4-5-19(26-24(30)17-6-7-25-21(12-17)34(3,31)32)15-20(16)18-13-22(27(2)23(29)14-18)28-8-10-33-11-9-28;1-17-8-9-20(25-24(29)18-6-4-3-5-7-18)16-21(17)19-14-22(26(2)23(28)15-19)27-10-12-30-13-11-27/h6-9,14-17H,10-13H2,1-5H3,(H,29,33);5-8,13-16H,4,9-12H2,1-3H3,(H,30,34);5-8,13-16H,9-12H2,1-4H3,(H,29,33);3-6,11-14,20H,7-10,15-16H2,1-2H3,(H,28,32);3,6-8,13-16,18H,4-5,9-12H2,1-2H3,(H,28,32);5-8,13-16H,4,9-12H2,1-3H3,(H,27,31);4-7,12-15H,8-11H2,1-3H3,(H,26,30);3-9,14-16H,10-13H2,1-2H3,(H,25,29) |
| InChIKey | ZHDUBFCNMDOHCH-UHFFFAOYSA-N |
| XLogP | 28.32 |
| TPSA | 642.16 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 266 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3631.29 |
| LogP ≤ 5 | 28.32 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 50 |