C156H120F6N42O8 — CID 161191549
N-[5-[5-cyano-6-(1-methyl-2-oxo-4-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methyl-2-oxo-4-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-pyridin-3-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-pyridin-3-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 161191549) has the molecular formula C156H120F6N42O8 and a molecular weight of 2824.95 g/mol. Its IUPAC name is N-[5-[5-cyano-6-(1-methyl-2-oxo-4-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methyl-2-oxo-4-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-pyridin-3-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-pyridin-3-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | N-[5-[5-cyano-6-(1-methyl-2-oxo-4-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methyl-2-oxo-4-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-pyridin-3-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-pyridin-3-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 161191549 |
| Molecular Formula | C156H120F6N42O8 |
| Molecular Weight | 2824.95 g/mol |
| Exact Mass | 2823.02 |
| IUPAC Name | N-[5-[5-cyano-6-(1-methyl-2-oxo-4-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methyl-2-oxo-4-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-pyridin-3-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-pyridin-3-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2cccnc2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2ccn(C)c(=O)c2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2ccn(C)n2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2cnn(C)c2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(-c2cccnc2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(-c2ccn(C)c(=O)c2)c(C#N)c1 |
| InChI | InChI=1S/C28H23N7O2.C27H21N7O.2C26H22N8O.C25H17F3N6O2.C24H15F3N6O/c1-17-23(21-9-20(13-29)26(33-14-21)18-6-8-35(4)25(36)11-18)12-22(15-32-17)34-27(37)19-5-7-31-24(10-19)28(2,3)16-30;1-17-23(21-9-20(12-28)25(33-14-21)19-5-4-7-30-13-19)11-22(15-32-17)34-26(35)18-6-8-31-24(10-18)27(2,3)16-29;1-16-21(19-9-18(12-27)24(31-13-19)22-6-8-34(4)33-22)11-20(14-30-16)32-25(35)17-5-7-29-23(10-17)26(2,3)15-28;1-16-22(19-7-18(10-27)24(31-11-19)20-12-32-34(4)14-20)9-21(13-30-16)33-25(35)17-5-6-29-23(8-17)26(2,3)15-28;1-14-20(18-7-17(11-29)23(32-12-18)15-4-6-34(2)22(35)9-15)10-19(13-31-14)33-24(36)16-3-5-30-21(8-16)25(26,27)28;1-14-20(18-7-17(10-28)22(32-12-18)16-3-2-5-29-11-16)9-19(13-31-14)33-23(34)15-4-6-30-21(8-15)24(25,26)27/h5-12,14-15H,1-4H3,(H,34,37);4-11,13-15H,1-3H3,(H,34,35);5-11,13-14H,1-4H3,(H,32,35);5-9,11-14H,1-4H3,(H,33,35);3-10,12-13H,1-2H3,(H,33,36);2-9,11-13H,1H3,(H,33,34) |
| InChIKey | UTUBTKVFLQYONC-UHFFFAOYSA-N |
| XLogP | 26.72 |
| TPSA | 749.94 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2824.95 |
| LogP ≤ 5 | 26.72 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 44 |