C186H160F9N45O13S — CID 157314001
N-[3-(6-amino-5-cyano-2-methyl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfur dioxide (PubChem CID 157314001) has the molecular formula C186H160F9N45O13S and a molecular weight of 3436.68 g/mol. Its IUPAC name is N-[3-(6-amino-5-cyano-2-methyl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfur dioxide.
| Compound Name | N-[3-(6-amino-5-cyano-2-methyl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfur dioxide |
|---|---|
| PubChem CID | 157314001 |
| Molecular Formula | C186H160F9N45O13S |
| Molecular Weight | 3436.68 g/mol |
| Exact Mass | 3434.28 |
| IUPAC Name | N-[3-(6-amino-5-cyano-2-methyl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-(6-amino-5-cyano-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-methoxy-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfur dioxide |
| SMILES | CCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C#N.COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C#N.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cncc(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C#N)c(N)nc1C.Cc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C#N.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(N)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.O=S=O |
| InChI | InChI=1S/C27H26N6O2.C26H25N7O2.C24H21N5O2.C23H20F3N5O.C23H19N5O.C22H19N7O.C21H16F3N5O.C20H14F3N5O.O2S/c1-17-5-6-21(32-25(34)18-7-8-30-23(10-18)26(2,3)14-29)11-22(17)20-9-19(12-28)24(31-13-20)33-15-27(4,35)16-33;1-16-21(19-7-18(10-27)23(31-11-19)33-14-26(4,35)15-33)9-20(12-30-16)32-24(34)17-5-6-29-22(8-17)25(2,3)13-28;1-15-5-6-19(11-20(15)18-9-17(12-25)23(31-4)28-13-18)29-22(30)16-7-8-27-21(10-16)24(2,3)14-26;1-3-7-29-21-16(12-27)9-17(13-30-21)19-11-18(5-4-14(19)2)31-22(32)15-6-8-28-20(10-15)23(24,25)26;1-15-4-5-19(10-20(15)18-8-16(11-24)12-26-13-18)28-22(29)17-6-7-27-21(9-17)23(2,3)14-25;1-13-18(16-6-15(9-23)20(25)28-10-16)8-17(11-27-13)29-21(30)14-4-5-26-19(7-14)22(2,3)12-24;1-11-3-4-15(9-16(11)17-7-14(10-25)19(26)28-12(17)2)29-20(30)13-5-6-27-18(8-13)21(22,23)24;1-11-14(8-24)5-15(9-26-11)17-7-16(10-27-12(17)2)28-19(29)13-3-4-25-18(6-13)20(21,22)23;1-3-2/h5-11,13,35H,15-16H2,1-4H3,(H,32,34);5-9,11-12,35H,14-15H2,1-4H3,(H,32,34);5-11,13H,1-4H3,(H,29,30);4-6,8-11,13H,3,7H2,1-2H3,(H,29,30)(H,31,32);4-10,12-13H,1-3H3,(H,28,29);4-8,10-11H,1-3H3,(H2,25,28)(H,29,30);3-9H,1-2H3,(H2,26,28)(H,29,30);3-7,9-10H,1-2H3,(H,28,29); |
| InChIKey | BDJIQXIPHBINHJ-UHFFFAOYSA-N |
| XLogP | 32.94 |
| TPSA | 941.36 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 254 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3436.68 |
| LogP ≤ 5 | 32.94 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 50 |