C127H114F19N27O18 — CID 157176480
5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157176480) has the molecular formula C127H114F19N27O18 and a molecular weight of 2667.44 g/mol. Its IUPAC name is 5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157176480 |
| Molecular Formula | C127H114F19N27O18 |
| Molecular Weight | 2667.44 g/mol |
| Exact Mass | 2665.85 |
| IUPAC Name | 5-(5-cyano-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[ethyl(2-hydroxyethyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(5-fluoro-3-pyridinyl)-6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[2-hydroxyethyl(methyl)amino]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.CN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cccnc1.CN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncc(C#N)c1.CN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncc(F)c1.CN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N(C)CCO)cn1 |
| InChI | InChI=1S/C22H18F3N5O3.C22H21F3N4O3.C21H18F4N4O3.C21H20F3N5O3.C21H19F3N4O3.C20H18F3N5O3/c1-30(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;1-14-3-4-15(12-26-14)19-11-16(13-27-20(19)29(2)9-10-30)21(31)28-17-5-7-18(8-6-17)32-22(23,24)25;1-29(6-7-30)19-18(13-8-15(22)12-26-10-13)9-14(11-27-19)20(31)28-16-2-4-17(5-3-16)32-21(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;1-28(9-10-29)19-18(14-3-2-8-25-12-14)11-15(13-26-19)20(30)27-16-4-6-17(7-5-16)31-21(22,23)24;1-28(6-7-29)18-17(14-9-24-12-25-10-14)8-13(11-26-18)19(30)27-15-2-4-16(5-3-15)31-20(21,22)23/h2-5,8-9,11-13,31H,6-7H2,1H3,(H,29,32);3-8,11-13,30H,9-10H2,1-2H3,(H,28,31);2-5,8-12,30H,6-7H2,1H3,(H,28,31);3-6,9-13,30H,2,7-8H2,1H3,(H,28,31);2-8,11-13,29H,9-10H2,1H3,(H,27,30);2-5,8-12,29H,6-7H2,1H3,(H,27,30) |
| InChIKey | AOBHPJNAZXACJM-UHFFFAOYSA-N |
| XLogP | 21.84 |
| TPSA | 575.05 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2667.44 |
| LogP ≤ 5 | 21.84 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 39 |