C140H160F4N14O15 — CID 158480629
N-(1-adamantyl)-6-phenylmethoxypyridine-3-carboxamide;N-(cyclobutylmethyl)-6-phenylmethoxypyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide;N-cyclopentyl-6-phenylmethoxypyridine-3-carboxamide;N-(dicyclopropylmethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[(1R)-1-(oxan-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 158480629) has the molecular formula C140H160F4N14O15 and a molecular weight of 2354.89 g/mol. Its IUPAC name is N-(1-adamantyl)-6-phenylmethoxypyridine-3-carboxamide;N-(cyclobutylmethyl)-6-phenylmethoxypyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide;N-cyclopentyl-6-phenylmethoxypyridine-3-carboxamide;N-(dicyclopropylmethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[(1R)-1-(oxan-4-yl)ethyl]pyridine-3-carboxamide.
| Compound Name | N-(1-adamantyl)-6-phenylmethoxypyridine-3-carboxamide;N-(cyclobutylmethyl)-6-phenylmethoxypyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide;N-cyclopentyl-6-phenylmethoxypyridine-3-carboxamide;N-(dicyclopropylmethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[(1R)-1-(oxan-4-yl)ethyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158480629 |
| Molecular Formula | C140H160F4N14O15 |
| Molecular Weight | 2354.89 g/mol |
| Exact Mass | 2353.21 |
| IUPAC Name | N-(1-adamantyl)-6-phenylmethoxypyridine-3-carboxamide;N-(cyclobutylmethyl)-6-phenylmethoxypyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(3-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide;N-cyclopentyl-6-phenylmethoxypyridine-3-carboxamide;N-(dicyclopropylmethyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[(1R)-1-(oxan-4-yl)ethyl]pyridine-3-carboxamide |
| SMILES | C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCOCC1.Cc1cc(OCc2cccc(F)c2)ncc1C(=O)N[C@H](C)C1CCCCC1.O=C(NC(C1CC1)C1CC1)c1ccc(OCc2cccc(F)c2)nc1.O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OCc2ccccc2)nc1.O=C(NC1CCCC1)c1ccc(OCc2ccccc2)nc1.O=C(NCC1CCC1)c1ccc(OCc2ccccc2)nc1 |
| InChI | InChI=1S/C23H26N2O2.C22H27FN2O2.C20H23FN2O3.C20H21FN2O2.C19H23FN2O2.2C18H20N2O2/c26-22(25-23-11-17-8-18(12-23)10-19(9-17)13-23)20-6-7-21(24-14-20)27-15-16-4-2-1-3-5-16;1-15-11-21(27-14-17-7-6-10-19(23)12-17)24-13-20(15)22(26)25-16(2)18-8-4-3-5-9-18;1-14(16-7-9-25-10-8-16)23-20(24)17-5-6-19(22-12-17)26-13-15-3-2-4-18(21)11-15;21-17-3-1-2-13(10-17)12-25-18-9-8-16(11-22-18)20(24)23-19(14-4-5-14)15-6-7-15;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;21-18(20-16-8-4-5-9-16)15-10-11-17(19-12-15)22-13-14-6-2-1-3-7-14;21-18(20-11-14-7-4-8-14)16-9-10-17(19-12-16)22-13-15-5-2-1-3-6-15/h1-7,14,17-19H,8-13,15H2,(H,25,26);6-7,10-13,16,18H,3-5,8-9,14H2,1-2H3,(H,25,26);2-6,11-12,14,16H,7-10,13H2,1H3,(H,23,24);1-3,8-11,14-15,19H,4-7,12H2,(H,23,24);5-11,13H,12H2,1-4H3,(H,22,23);1-3,6-7,10-12,16H,4-5,8-9,13H2,(H,20,21);1-3,5-6,9-10,12,14H,4,7-8,11,13H2,(H,20,21)/t;16-;14-;;13-;;/m.11.1../s1 |
| InChIKey | HHMBDIWHJGWOEV-IHWBFFFLSA-N |
| XLogP | 26.72 |
| TPSA | 367.77 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2354.89 |
| LogP ≤ 5 | 26.72 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 22 |