C131H125F18N25O19 — CID 161465386
6-(3-hydroxypropylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 161465386) has the molecular formula C131H125F18N25O19 and a molecular weight of 2695.56 g/mol. Its IUPAC name is 6-(3-hydroxypropylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 6-(3-hydroxypropylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 161465386 |
| Molecular Formula | C131H125F18N25O19 |
| Molecular Weight | 2695.56 g/mol |
| Exact Mass | 2693.93 |
| IUPAC Name | 6-(3-hydroxypropylamino)-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypropylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[3-hydroxypropyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CN(CCCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.CN(CCCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2NCCCO)cn1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N(C)CCCO)cn1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2NCCCO)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(NCCCO)c(-c2cccnc2)c1 |
| InChI | InChI=1S/C23H23F3N4O3.C22H21F3N4O4.2C22H21F3N4O3.C21H20F3N5O3.C21H19F3N4O3/c1-15-4-5-16(13-27-15)20-12-17(14-28-21(20)30(2)10-3-11-31)22(32)29-18-6-8-19(9-7-18)33-23(24,25)26;1-32-19-8-3-14(12-27-19)18-11-15(13-28-20(18)26-9-2-10-30)21(31)29-16-4-6-17(7-5-16)33-22(23,24)25;1-14-3-4-15(12-27-14)19-11-16(13-28-20(19)26-9-2-10-30)21(31)29-17-5-7-18(8-6-17)32-22(23,24)25;1-29(10-3-11-30)20-19(15-4-2-9-26-13-15)12-16(14-27-20)21(31)28-17-5-7-18(8-6-17)32-22(23,24)25;1-29(7-2-8-30)19-18(15-10-25-13-26-11-15)9-14(12-27-19)20(31)28-16-3-5-17(6-4-16)32-21(22,23)24;22-21(23,24)31-17-6-4-16(5-7-17)28-20(30)15-11-18(14-3-1-8-25-12-14)19(27-13-15)26-9-2-10-29/h4-9,12-14,31H,3,10-11H2,1-2H3,(H,29,32);3-8,11-13,30H,2,9-10H2,1H3,(H,26,28)(H,29,31);3-8,11-13,30H,2,9-10H2,1H3,(H,26,28)(H,29,31);2,4-9,12-14,30H,3,10-11H2,1H3,(H,28,31);3-6,9-13,30H,2,7-8H2,1H3,(H,28,31);1,3-8,11-13,29H,2,9-10H2,(H,26,27)(H,28,30) |
| InChIKey | WCIYYWXGSGUMLY-UHFFFAOYSA-N |
| XLogP | 24.63 |
| TPSA | 573.97 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2695.56 |
| LogP ≤ 5 | 24.63 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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