C116H135Cl2F6N15O13 — CID 158886903
6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 158886903) has the molecular formula C116H135Cl2F6N15O13 and a molecular weight of 2132.34 g/mol. Its IUPAC name is 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide.
| Compound Name | 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide |
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| PubChem CID | 158886903 |
| Molecular Formula | C116H135Cl2F6N15O13 |
| Molecular Weight | 2132.34 g/mol |
| Exact Mass | 2129.96 |
| IUPAC Name | 6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(1R)-1-cyclohexylethyl]pyridine-3-carboxamide;6-[(2-chloro-4-pyridinyl)oxymethyl]-N-[(2R)-3,3-dimethylbutan-2-yl]pyridine-3-carboxamide;N-(1-cyclohexylethyl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;N-[(1R)-1-cyclohexylethyl]-6-[(5-fluoro-3-pyridinyl)oxymethyl]pyridine-3-carboxamide;N-(3,3-difluorobutan-2-yl)-6-[(3-fluorophenoxy)methyl]pyridine-3-carboxamide;6-[(3-fluorophenoxy)methyl]-N-[1-(oxan-2-yl)ethyl]pyridine-3-carboxamide |
| SMILES | CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C(C)(F)F.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCC1.CC(NC(=O)c1ccc(COc2cccc(F)c2)nc1)C1CCCCO1.C[C@@H](NC(=O)c1ccc(COc2ccnc(Cl)c2)nc1)C(C)(C)C.C[C@@H](NC(=O)c1ccc(COc2ccnc(Cl)c2)nc1)C1CCCCC1.C[C@@H](NC(=O)c1ccc(COc2cncc(F)c2)nc1)C1CCCCC1 |
| InChI | InChI=1S/C21H25FN2O2.C20H24ClN3O2.C20H24FN3O2.C20H23FN2O3.C18H22ClN3O2.C17H17F3N2O2/c1-15(16-6-3-2-4-7-16)24-21(25)17-10-11-19(23-13-17)14-26-20-9-5-8-18(22)12-20;1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-17(23-12-16)13-26-18-9-10-22-19(21)11-18;1-14(15-5-3-2-4-6-15)24-20(25)16-7-8-18(23-10-16)13-26-19-9-17(21)11-22-12-19;1-14(19-7-2-3-10-25-19)23-20(24)15-8-9-17(22-12-15)13-26-18-6-4-5-16(21)11-18;1-12(18(2,3)4)22-17(23)13-5-6-14(21-10-13)11-24-15-7-8-20-16(19)9-15;1-11(17(2,19)20)22-16(23)12-6-7-14(21-9-12)10-24-15-5-3-4-13(18)8-15/h5,8-13,15-16H,2-4,6-7,14H2,1H3,(H,24,25);2*7-12,14-15H,2-6,13H2,1H3,(H,24,25);4-6,8-9,11-12,14,19H,2-3,7,10,13H2,1H3,(H,23,24);5-10,12H,11H2,1-4H3,(H,22,23);3-9,11H,10H2,1-2H3,(H,22,23)/t;2*14-;;12-;/m.11.1./s1 |
| InChIKey | JDSXYKTXINYGGT-FUEDTNEGSA-N |
| XLogP | 23.73 |
| TPSA | 355.22 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2132.34 |
| LogP ≤ 5 | 23.73 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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