C130H113ClF18N28O18 — CID 157187034
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157187034) has the molecular formula C130H113ClF18N28O18 and a molecular weight of 2732.93 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157187034 |
| Molecular Formula | C130H113ClF18N28O18 |
| Molecular Weight | 2732.93 g/mol |
| Exact Mass | 2730.82 |
| IUPAC Name | N-[4-[chloro(difluoro)methoxy]phenyl]-5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[ethyl(2-hydroxyethyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethylamino)-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncc(C#N)c1.CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncc(F)c1.CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.CN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncc(C#N)c1.CN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncc(C#N)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(NCCO)c(-c2cccnc2)c1 |
| InChI | InChI=1S/C23H20F3N5O3.C22H18ClF2N5O3.C22H20F4N4O3.C22H18F3N5O3.C21H20F3N5O3.C20H17F3N4O3/c1-2-31(7-8-32)21-20(16-9-15(11-27)12-28-13-16)10-17(14-29-21)22(33)30-18-3-5-19(6-4-18)34-23(24,25)26;1-30(6-7-31)20-19(15-8-14(10-26)11-27-12-15)9-16(13-28-20)21(32)29-17-2-4-18(5-3-17)33-22(23,24)25;1-2-30(7-8-31)20-19(14-9-16(23)13-27-11-14)10-15(12-28-20)21(32)29-17-3-5-18(6-4-17)33-22(24,25)26;1-30(6-7-31)20-19(15-8-14(10-26)11-27-12-15)9-16(13-28-20)21(32)29-17-2-4-18(5-3-17)33-22(23,24)25;1-2-29(7-8-30)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;21-20(22,23)30-16-5-3-15(4-6-16)27-19(29)14-10-17(13-2-1-7-24-11-13)18(26-12-14)25-8-9-28/h3-6,9-10,12-14,32H,2,7-8H2,1H3,(H,30,33);2-5,8-9,11-13,31H,6-7H2,1H3,(H,29,32);3-6,9-13,31H,2,7-8H2,1H3,(H,29,32);2-5,8-9,11-13,31H,6-7H2,1H3,(H,29,32);3-6,9-13,30H,2,7-8H2,1H3,(H,28,31);1-7,10-12,28H,8-9H2,(H,25,26)(H,27,29) |
| InChIKey | APFYNWPZUGBTMC-UHFFFAOYSA-N |
| XLogP | 22.90 |
| TPSA | 618.53 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2732.93 |
| LogP ≤ 5 | 22.90 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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