C137H154F9N15O18 — CID 162070426
N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methoxyphenyl)methoxy]pyridine-3-carboxamide;N-(3,3-dimethylcyclobutyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[2-(3-methyloxetan-3-yl)ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 162070426) has the molecular formula C137H154F9N15O18 and a molecular weight of 2469.81 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methoxyphenyl)methoxy]pyridine-3-carboxamide;N-(3,3-dimethylcyclobutyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[2-(3-methyloxetan-3-yl)ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-3-carboxamide.
| Compound Name | N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methoxyphenyl)methoxy]pyridine-3-carboxamide;N-(3,3-dimethylcyclobutyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[2-(3-methyloxetan-3-yl)ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-3-carboxamide |
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| PubChem CID | 162070426 |
| Molecular Formula | C137H154F9N15O18 |
| Molecular Weight | 2469.81 g/mol |
| Exact Mass | 2468.15 |
| IUPAC Name | N-[(2R)-3,3-dimethylbutan-2-yl]-6-[1-(3-fluorophenyl)ethoxy]pyridine-3-carboxamide;N-[(2R)-3,3-dimethylbutan-2-yl]-6-[(2-methoxyphenyl)methoxy]pyridine-3-carboxamide;N-(3,3-dimethylcyclobutyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[2-(3-methyloxetan-3-yl)ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide;6-[(3-fluorophenyl)methoxy]-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridine-3-carboxamide |
| SMILES | CC(C)(C)OCCNC(=O)c1ccc(OCc2cccc(F)c2)nc1.CC(NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C1CCCCO1.CC(Oc1ccc(C(=O)N[C@H](C)C(C)(C)C)cn1)c1cccc(F)c1.CC1(C)CC(NC(=O)c2ccc(OCc3cccc(F)c3)nc2)C1.CC1(CCNC(=O)c2ccc(OCc3cccc(F)c3)nc2)COC1.COc1ccccc1COc1ccc(C(=O)N[C@H](C)C(C)(C)C)cn1.O=C(NC(c1ccccn1)C(F)(F)F)c1ccc(OCc2cccc(F)c2)nc1 |
| InChI | InChI=1S/C20H15F4N3O2.C20H23FN2O3.C20H25FN2O2.C20H26N2O3.C19H21FN2O3.C19H23FN2O3.C19H21FN2O2/c21-15-5-3-4-13(10-15)12-29-17-8-7-14(11-26-17)19(28)27-18(20(22,23)24)16-6-1-2-9-25-16;1-14(18-7-2-3-10-25-18)23-20(24)16-8-9-19(22-12-16)26-13-15-5-4-6-17(21)11-15;1-13(15-7-6-8-17(21)11-15)25-18-10-9-16(12-22-18)19(24)23-14(2)20(3,4)5;1-14(20(2,3)4)22-19(23)15-10-11-18(21-12-15)25-13-16-8-6-7-9-17(16)24-5;1-19(12-24-13-19)7-8-21-18(23)15-5-6-17(22-10-15)25-11-14-3-2-4-16(20)9-14;1-19(2,3)25-10-9-21-18(23)15-7-8-17(22-12-15)24-13-14-5-4-6-16(20)11-14;1-19(2)9-16(10-19)22-18(23)14-6-7-17(21-11-14)24-12-13-4-3-5-15(20)8-13/h1-11,18H,12H2,(H,27,28);4-6,8-9,11-12,14,18H,2-3,7,10,13H2,1H3,(H,23,24);6-14H,1-5H3,(H,23,24);6-12,14H,13H2,1-5H3,(H,22,23);2-6,9-10H,7-8,11-13H2,1H3,(H,21,23);4-8,11-12H,9-10,13H2,1-3H3,(H,21,23);3-8,11,16H,9-10,12H2,1-2H3,(H,22,23)/t;;13?,14-;14-;;;/m..11.../s1 |
| InChIKey | ZAZSXIDPNGGLNG-QCMIMYIJSA-N |
| XLogP | 26.09 |
| TPSA | 408.35 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2469.81 |
| LogP ≤ 5 | 26.09 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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