C140H133F3N34O12S2 — CID 160850146
N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-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-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 160850146) has the molecular formula C140H133F3N34O12S2 and a molecular weight of 2604.96 g/mol. Its IUPAC name is N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-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-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-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-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 160850146 |
| Molecular Formula | C140H133F3N34O12S2 |
| Molecular Weight | 2604.96 g/mol |
| Exact Mass | 2603.02 |
| IUPAC Name | N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-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-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(C(C)C)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C(C)C)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(N(C)C)c(C#N)c1 |
| InChI | InChI=1S/C27H26N6O2.C25H24N6O.C23H24N6O2.C22H18F3N5O.C22H21N5O3S.C21H20N6O3S/c1-17-23(21-10-20(13-28)25(32-14-21)18-5-8-35-9-6-18)12-22(15-31-17)33-26(34)19-4-7-30-24(11-19)27(2,3)16-29;1-15(2)23-18(11-26)8-19(12-30-23)21-10-20(13-29-16(21)3)31-24(32)17-6-7-28-22(9-17)25(4,5)14-27;1-14-19(17-8-16(11-24)21(27-12-17)29(4)5)10-18(13-26-14)28-22(30)15-6-7-25-20(9-15)23(2,3)31;1-12(2)20-15(9-26)6-16(10-29-20)18-8-17(11-28-13(18)3)30-21(31)14-4-5-27-19(7-14)22(23,24)25;1-14-5-6-18(26-22(28)15-7-8-24-20(10-15)31(4,29)30)11-19(14)17-9-16(12-23)21(25-13-17)27(2)3;1-13-18(16-7-15(10-22)20(25-11-16)27(2)3)9-17(12-24-13)26-21(28)14-5-6-23-19(8-14)31(4,29)30/h4,7,10-12,14-15,18H,5-6,8-9H2,1-3H3,(H,33,34);6-10,12-13,15H,1-5H3,(H,31,32);6-10,12-13,31H,1-5H3,(H,28,30);4-8,10-12H,1-3H3,(H,30,31);5-11,13H,1-4H3,(H,26,28);5-9,11-12H,1-4H3,(H,26,28) |
| InChIKey | SJDPSPZPHPWQSM-UHFFFAOYSA-N |
| XLogP | 23.43 |
| TPSA | 691.51 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2604.96 |
| LogP ≤ 5 | 23.43 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 40 |