C163H138F24N30O29 — CID 160521268
6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 160521268) has the molecular formula C163H138F24N30O29 and a molecular weight of 3437.03 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide.
| Compound Name | 6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide |
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| PubChem CID | 160521268 |
| Molecular Formula | C163H138F24N30O29 |
| Molecular Weight | 3437.03 g/mol |
| Exact Mass | 3434.99 |
| IUPAC Name | 6-(2-hydroxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(5-hydroxypentoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-hydroxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(2-methoxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-methoxyethoxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-methoxy-3-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]benzamide;6-(oxan-4-yloxy)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;3-pyrimidin-5-yl-4-(2-pyrrolidin-1-ylethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide |
| SMILES | COCCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccn[nH]1.COCCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(O)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCN2CCCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OC2CCOCC2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCCCCO)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(OCCO)c(-c2cncnc2)c1 |
| InChI | InChI=1S/C24H23F3N4O3.C22H19F3N4O4.C22H21F3N4O4.C20H17F3N4O4.C19H17F3N4O4.C19H15F3N4O4.C19H14F3N3O3.C18H12F3N3O3/c25-24(26,27)34-20-6-4-19(5-7-20)30-23(32)17-3-8-22(33-12-11-31-9-1-2-10-31)21(13-17)18-14-28-16-29-15-18;23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17;23-22(24,25)33-18-6-4-17(5-7-18)29-20(31)15-10-19(16-11-26-14-27-12-16)21(28-13-15)32-9-3-1-2-8-30;1-29-6-7-30-19-17(14-9-24-12-25-10-14)8-13(11-26-19)18(28)27-15-2-4-16(5-3-15)31-20(21,22)23;1-28-8-9-29-18-15(16-6-7-24-26-16)10-12(11-23-18)17(27)25-13-2-4-14(5-3-13)30-19(20,21)22;20-19(21,22)30-15-3-1-14(2-4-15)26-17(28)12-7-16(13-8-23-11-24-9-13)18(25-10-12)29-6-5-27;1-27-17-7-2-12(8-16(17)13-9-23-11-24-10-13)18(26)25-14-3-5-15(6-4-14)28-19(20,21)22;19-18(20,21)27-14-4-2-13(3-5-14)24-17(26)11-1-6-16(25)15(7-11)12-8-22-10-23-9-12/h3-8,13-16H,1-2,9-12H2,(H,30,32);1-4,9-13,17H,5-8H2,(H,29,30);4-7,10-14,30H,1-3,8-9H2,(H,29,31);2-5,8-12H,6-7H2,1H3,(H,27,28);2-7,10-11H,8-9H2,1H3,(H,24,26)(H,25,27);1-4,7-11,27H,5-6H2,(H,26,28);2-11H,1H3,(H,25,26);1-10,25H,(H,24,26) |
| InChIKey | QUHKIAGFHYLEJX-UHFFFAOYSA-N |
| XLogP | 31.97 |
| TPSA | 736.46 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 246 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3437.03 |
| LogP ≤ 5 | 31.97 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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