C136H120ClF18N23O17 — CID 160909338
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(propylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 160909338) has the molecular formula C136H120ClF18N23O17 and a molecular weight of 2726.02 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(propylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(propylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160909338 |
| Molecular Formula | C136H120ClF18N23O17 |
| Molecular Weight | 2726.02 g/mol |
| Exact Mass | 2723.86 |
| IUPAC Name | N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(3-cyanophenyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-ethynyl-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(propylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | C#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N(C)CCO)c1.C#Cc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N(C)CCO)c1.CCCNc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccc(C#N)c1.CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccc(F)c1.CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1 |
| InChI | InChI=1S/C24H21F3N4O3.C23H19ClF2N4O3.C23H21F4N3O3.C23H19F3N4O3.C22H21F3N4O3.C21H19F3N4O2/c1-2-31(10-11-32)22-21(17-5-3-4-16(12-17)14-28)13-18(15-29-22)23(33)30-19-6-8-20(9-7-19)34-24(25,26)27;1-3-15-10-16(13-27-12-15)20-11-17(14-28-21(20)30(2)8-9-31)22(32)29-18-4-6-19(7-5-18)33-23(24,25)26;1-2-30(10-11-31)21-20(15-4-3-5-17(24)12-15)13-16(14-28-21)22(32)29-18-6-8-19(9-7-18)33-23(25,26)27;1-3-15-10-16(13-27-12-15)20-11-17(14-28-21(20)30(2)8-9-31)22(32)29-18-4-6-19(7-5-18)33-23(24,25)26;1-2-29(10-11-30)20-19(15-4-3-9-26-13-15)12-16(14-27-20)21(31)28-17-5-7-18(8-6-17)32-22(23,24)25;1-2-9-26-19-18(14-4-3-10-25-12-14)11-15(13-27-19)20(29)28-16-5-7-17(8-6-16)30-21(22,23)24/h3-9,12-13,15,32H,2,10-11H2,1H3,(H,30,33);1,4-7,10-14,31H,8-9H2,2H3,(H,29,32);3-9,12-14,31H,2,10-11H2,1H3,(H,29,32);1,4-7,10-14,31H,8-9H2,2H3,(H,29,32);3-9,12-14,30H,2,10-11H2,1H3,(H,28,31);3-8,10-13H,2,9H2,1H3,(H,26,27)(H,28,29) |
| InChIKey | SQOIINULLZOSJE-UHFFFAOYSA-N |
| XLogP | 26.35 |
| TPSA | 512.05 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2726.02 |
| LogP ≤ 5 | 26.35 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 34 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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