C137H157F7N14O15 — CID 158287840
N-(2-adamantyl)-6-phenylmethoxypyridine-3-carboxamide;N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-methoxyphenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[(2R)-3-methylbutan-2-yl]pyridine-3-carboxamide;N-(2-methylcyclohexyl)-6-phenylmethoxypyridine-3-carboxamide (PubChem CID 158287840) has the molecular formula C137H157F7N14O15 and a molecular weight of 2372.83 g/mol. Its IUPAC name is N-(2-adamantyl)-6-phenylmethoxypyridine-3-carboxamide;N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-methoxyphenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[(2R)-3-methylbutan-2-yl]pyridine-3-carboxamide;N-(2-methylcyclohexyl)-6-phenylmethoxypyridine-3-carboxamide.
| Compound Name | N-(2-adamantyl)-6-phenylmethoxypyridine-3-carboxamide;N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-methoxyphenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[(2R)-3-methylbutan-2-yl]pyridine-3-carboxamide;N-(2-methylcyclohexyl)-6-phenylmethoxypyridine-3-carboxamide |
|---|---|
| PubChem CID | 158287840 |
| Molecular Formula | C137H157F7N14O15 |
| Molecular Weight | 2372.83 g/mol |
| Exact Mass | 2371.18 |
| IUPAC Name | N-(2-adamantyl)-6-phenylmethoxypyridine-3-carboxamide;N-[(1R)-1-cyclobutylethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-methoxyphenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[(2R)-3-methylbutan-2-yl]pyridine-3-carboxamide;N-(2-methylcyclohexyl)-6-phenylmethoxypyridine-3-carboxamide |
| SMILES | CC(C)[C@@H](C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1.CC1CCCCC1NC(=O)c1ccc(OCc2ccccc2)nc1.COc1cccc(COc2ccc(C(=O)N[C@H](C)C(C)(C)C)cn2)c1.C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCC1.O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(OCc2ccccc2)nc1.O=C(N[C@@H](C1CC1)C(F)(F)F)c1ccc(OCc2cccc(F)c2)nc1 |
| InChI | InChI=1S/C23H26N2O2.C20H26N2O3.C20H24N2O2.C19H21FN2O2.C19H23FN2O2.C18H16F4N2O2.C18H21FN2O2/c26-23(25-22-19-9-16-8-17(11-19)12-20(22)10-16)18-6-7-21(24-13-18)27-14-15-4-2-1-3-5-15;1-14(20(2,3)4)22-19(23)16-9-10-18(21-12-16)25-13-15-7-6-8-17(11-15)24-5;1-15-7-5-6-10-18(15)22-20(23)17-11-12-19(21-13-17)24-14-16-8-3-2-4-9-16;1-13(15-5-3-6-15)22-19(23)16-8-9-18(21-11-16)24-12-14-4-2-7-17(20)10-14;1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14;19-14-3-1-2-11(8-14)10-26-15-7-6-13(9-23-15)17(25)24-16(12-4-5-12)18(20,21)22;1-12(2)13(3)21-18(22)15-7-8-17(20-10-15)23-11-14-5-4-6-16(19)9-14/h1-7,13,16-17,19-20,22H,8-12,14H2,(H,25,26);6-12,14H,13H2,1-5H3,(H,22,23);2-4,8-9,11-13,15,18H,5-7,10,14H2,1H3,(H,22,23);2,4,7-11,13,15H,3,5-6,12H2,1H3,(H,22,23);5-11,13H,12H2,1-4H3,(H,22,23);1-3,6-9,12,16H,4-5,10H2,(H,24,25);4-10,12-13H,11H2,1-3H3,(H,21,22)/t;14-;;2*13-;16-;13-/m.1.1101/s1 |
| InChIKey | GKZOTTGEVFBUSM-RKNHLBJOSA-N |
| XLogP | 27.14 |
| TPSA | 367.77 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2372.83 |
| LogP ≤ 5 | 27.14 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 22 |