C158H150N36O12S — CID 160979187
2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide (PubChem CID 160979187) has the molecular formula C158H150N36O12S and a molecular weight of 2777.24 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide.
| Compound Name | 2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide |
|---|---|
| PubChem CID | 160979187 |
| Molecular Formula | C158H150N36O12S |
| Molecular Weight | 2777.24 g/mol |
| Exact Mass | 2775.20 |
| IUPAC Name | 2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1 |
| InChI | InChI=1S/C27H27N7O.2C27H24N6O2.C26H23N7O2.C26H28N6O.C25H24N4O4S/c1-18-4-5-22(33-26(35)19-6-7-31-24(13-19)27(2,3)17-29)14-23(18)21-12-20(15-28)25(32-16-21)34-10-8-30-9-11-34;1-17-23(21-10-20(13-28)25(32-14-21)18-3-8-35-9-4-18)12-22(15-31-17)33-26(34)19-2-7-30-24(11-19)27(16-29)5-6-27;1-18-2-3-22(32-26(34)19-4-7-30-24(13-19)27(17-29)5-6-27)14-23(18)21-12-20(15-28)25(31-16-21)33-8-10-35-11-9-33;1-17-22(20-10-19(13-27)24(31-14-20)33-6-8-35-9-7-33)12-21(15-30-17)32-25(34)18-2-5-29-23(11-18)26(16-28)3-4-26;1-17(2)24-13-19(6-7-29-24)26(33)31-22-5-4-18(3)23(14-22)21-12-20(15-27)25(30-16-21)32-10-8-28-9-11-32;1-16-3-4-21(29-25(30)18-5-8-27-23(12-18)34(2,31)32)13-22(16)20-11-19(14-26)24(28-15-20)17-6-9-33-10-7-17/h4-7,12-14,16,30H,8-11H2,1-3H3,(H,33,35);2,7,10-12,14-15,18H,3-6,8-9H2,1H3,(H,33,34);2-4,7,12-14,16H,5-6,8-11H2,1H3,(H,32,34);2,5,10-12,14-15H,3-4,6-9H2,1H3,(H,32,34);4-7,12-14,16-17,28H,8-11H2,1-3H3,(H,31,33);3-5,8,11-13,15,17H,6-7,9-10H2,1-2H3,(H,29,30) |
| InChIKey | SZHCCQQPJSOODR-UHFFFAOYSA-N |
| XLogP | 23.52 |
| TPSA | 701.04 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 207 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2777.24 |
| LogP ≤ 5 | 23.52 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 42 |