C146H141F5N36O14 — CID 159433720
2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide (PubChem CID 159433720) has the molecular formula C146H141F5N36O14 and a molecular weight of 2718.96 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide.
| Compound Name | 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 159433720 |
| Molecular Formula | C146H141F5N36O14 |
| Molecular Weight | 2718.96 g/mol |
| Exact Mass | 2717.13 |
| IUPAC Name | 2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide |
| SMILES | COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)cnc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc1C#N.COCCNc1ncc(-c2cc(NC(=O)c3ccnc(C4(C#N)CC4)c3)cnc2C)cc1C#N.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1 |
| InChI | InChI=1S/C26H27N5O3.C25H23N7O2.C25H25N7O2.C24H20F3N5O2.C24H26N6O3.C22H20F2N6O2/c1-16-5-6-20(30-24(32)17-7-8-28-22(10-17)25(2,3)33)11-21(16)19-9-18(12-27)23(29-13-19)31-14-26(4,34)15-31;1-16-21(19-9-18(12-26)23(31-13-19)29-7-8-34-2)11-20(14-30-16)32-24(33)17-3-6-28-22(10-17)25(15-27)4-5-25;1-16-21(19-9-18(12-26)23(31-13-19)29-7-8-34-4)11-20(14-30-16)32-24(33)17-5-6-28-22(10-17)25(2,3)15-27;1-14-3-4-18(31-22(33)15-5-6-29-20(8-15)24(25,26)27)9-19(14)17-7-16(10-28)21(30-11-17)32-12-23(2,34)13-32;1-15-20(18-9-17(12-25)22(29-13-18)27-7-8-33-4)11-19(14-28-15)30-23(31)16-5-6-26-21(10-16)24(2,3)32;1-13-18(16-7-15(10-25)21(29-11-16)27-5-6-32-2)9-17(12-28-13)30-22(31)14-3-4-26-19(8-14)20(23)24/h5-11,13,33-34H,14-15H2,1-4H3,(H,30,32);3,6,9-11,13-14H,4-5,7-8H2,1-2H3,(H,29,31)(H,32,33);5-6,9-11,13-14H,7-8H2,1-4H3,(H,29,31)(H,32,33);3-9,11,34H,12-13H2,1-2H3,(H,31,33);5-6,9-11,13-14,32H,7-8H2,1-4H3,(H,27,29)(H,30,31);3-4,7-9,11-12,20H,5-6H2,1-2H3,(H,27,29)(H,30,31) |
| InChIKey | LRHPMOUPFHAWHN-UHFFFAOYSA-N |
| XLogP | 22.18 |
| TPSA | 743.60 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 201 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2718.96 |
| LogP ≤ 5 | 22.18 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 44 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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