C138H151ClF11N41O14 — CID 160882718
N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-5-fluoro-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide;N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide (PubChem CID 160882718) has the molecular formula C138H151ClF11N41O14 and a molecular weight of 2852.43 g/mol. Its IUPAC name is N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-5-fluoro-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide;N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide.
| Compound Name | N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-5-fluoro-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide;N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160882718 |
| Molecular Formula | C138H151ClF11N41O14 |
| Molecular Weight | 2852.43 g/mol |
| Exact Mass | 2850.19 |
| IUPAC Name | N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-5-fluoro-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-5-methyl-3-(1-methylpyrazol-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-2-carboxamide;N-ethyl-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide;N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]pyridine-3-carboxamide;N-ethyl-6-methyl-2-(triazol-2-yl)-N-[(2S)-1-[5-(trifluoromethyl)pyrimidin-2-yl]oxypropan-2-yl]pyridine-3-carboxamide |
| SMILES | CCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ccc(C(F)(F)F)cn1.CCN(C(=O)c1ccc(C)nc1-n1nccn1)[C@@H](C)COc1ncc(C(F)(F)F)cn1.CCN(C(=O)c1cccnc1-n1nccn1)[C@@H](C)COc1ccc(C)cn1.CCN(C(=O)c1cccnc1-n1nccn1)[C@@H](C)COc1ccc(Cl)cn1.CCN(C(=O)c1cccnc1-n1nccn1)[C@@H](C)COc1ncc(C(F)(F)F)cc1F.CCN(C(=O)c1ncc(C)cc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C)cn1.CCN(C(=O)c1ncc(F)cc1-c1ccn(C)n1)[C@@H](C)COc1ccc(C)cn1 |
| InChI | InChI=1S/C22H27N5O2.C21H24FN5O2.C20H21F3N6O2.C19H18F4N6O2.C19H20F3N7O2.C19H22N6O2.C18H19ClN6O2/c1-6-27(17(4)14-29-20-8-7-15(2)12-23-20)22(28)21-18(11-16(3)13-24-21)19-9-10-26(5)25-19;1-5-27(15(3)13-29-19-7-6-14(2)11-23-19)21(28)20-17(10-16(22)12-24-20)18-8-9-26(4)25-18;1-4-28(14(3)12-31-17-8-6-15(11-24-17)20(21,22)23)19(30)16-7-5-13(2)27-18(16)29-25-9-10-26-29;1-3-28(18(30)14-5-4-6-24-16(14)29-26-7-8-27-29)12(2)11-31-17-15(20)9-13(10-25-17)19(21,22)23;1-4-28(13(3)11-31-18-23-9-14(10-24-18)19(20,21)22)17(30)15-6-5-12(2)27-16(15)29-25-7-8-26-29;1-4-24(15(3)13-27-17-8-7-14(2)12-21-17)19(26)16-6-5-9-20-18(16)25-22-10-11-23-25;1-3-24(13(2)12-27-16-7-6-14(19)11-21-16)18(26)15-5-4-8-20-17(15)25-22-9-10-23-25/h7-13,17H,6,14H2,1-5H3;6-12,15H,5,13H2,1-4H3;5-11,14H,4,12H2,1-3H3;4-10,12H,3,11H2,1-2H3;5-10,13H,4,11H2,1-3H3;5-12,15H,4,13H2,1-3H3;4-11,13H,3,12H2,1-2H3/t17-;15-;14-;12-;13-;15-;13-/m0000000/s1 |
| InChIKey | SNFXLJRLRSHYKK-SESMPRGHSA-N |
| XLogP | 20.78 |
| TPSA | 589.32 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 205 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2852.43 |
| LogP ≤ 5 | 20.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 48 |