C156H153F21N30O15 — CID 159709943
6-(butylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-(propylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 159709943) has the molecular formula C156H153F21N30O15 and a molecular weight of 3087.09 g/mol. Its IUPAC name is 6-(butylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-(propylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 6-(butylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-(propylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159709943 |
| Molecular Formula | C156H153F21N30O15 |
| Molecular Weight | 3087.09 g/mol |
| Exact Mass | 3085.18 |
| IUPAC Name | 6-(butylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(butylamino)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[butyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(6-methyl-3-pyridinyl)-6-(propylamino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CCCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.CCCCN(C)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.CCCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C)nc1.CCCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC)nc1.CCCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.CCCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.CCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccc(C)nc1 |
| InChI | InChI=1S/C23H23F3N4O3.2C23H23F3N4O2.C22H22F3N5O2.2C22H21F3N4O2.C21H20F3N5O2/c1-3-4-11-27-21-19(15-5-10-20(32-2)28-13-15)12-16(14-29-21)22(31)30-17-6-8-18(9-7-17)33-23(24,25)26;1-3-4-12-30(2)21-20(16-6-5-11-27-14-16)13-17(15-28-21)22(31)29-18-7-9-19(10-8-18)32-23(24,25)26;1-3-4-11-27-21-20(16-6-5-15(2)28-13-16)12-17(14-29-21)22(31)30-18-7-9-19(10-8-18)32-23(24,25)26;1-3-4-9-30(2)20-19(16-11-26-14-27-12-16)10-15(13-28-20)21(31)29-17-5-7-18(8-6-17)32-22(23,24)25;1-3-10-26-20-19(15-5-4-14(2)27-12-15)11-16(13-28-20)21(30)29-17-6-8-18(9-7-17)31-22(23,24)25;1-2-3-11-27-20-19(15-5-4-10-26-13-15)12-16(14-28-20)21(30)29-17-6-8-18(9-7-17)31-22(23,24)25;1-2-3-8-27-19-18(15-10-25-13-26-11-15)9-14(12-28-19)20(30)29-16-4-6-17(7-5-16)31-21(22,23)24/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H,30,31);5-11,13-15H,3-4,12H2,1-2H3,(H,29,31);5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H,30,31);5-8,10-14H,3-4,9H2,1-2H3,(H,29,31);4-9,11-13H,3,10H2,1-2H3,(H,26,28)(H,29,30);4-10,12-14H,2-3,11H2,1H3,(H,27,28)(H,29,30);4-7,9-13H,2-3,8H2,1H3,(H,27,28)(H,29,30) |
| InChIKey | MYRZZWPWUYVUEE-UHFFFAOYSA-N |
| XLogP | 37.62 |
| TPSA | 550.41 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 222 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3087.09 |
| LogP ≤ 5 | 37.62 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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