C133H158F8N16O14 — CID 160812914
N-butyl-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;N-(2-cyanoethyl)-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;5-[[3-(2,2-difluoropropyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(3-methylbutyl)pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 160812914) has the molecular formula C133H158F8N16O14 and a molecular weight of 2356.81 g/mol. Its IUPAC name is N-butyl-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;N-(2-cyanoethyl)-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;5-[[3-(2,2-difluoropropyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(3-methylbutyl)pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide.
| Compound Name | N-butyl-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;N-(2-cyanoethyl)-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;5-[[3-(2,2-difluoropropyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(3-methylbutyl)pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 160812914 |
| Molecular Formula | C133H158F8N16O14 |
| Molecular Weight | 2356.81 g/mol |
| Exact Mass | 2355.20 |
| IUPAC Name | N-butyl-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;N-(2-cyanoethyl)-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;5-[[3-(2,2-difluoropropyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-[(3-fluoro-5-methylphenoxy)methyl]pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(3-methylbutyl)pyridine-2-carboxamide;5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide |
| SMILES | CC(C)CNC(=O)c1ccc(COCc2cccc(CC(C)(F)F)c2)cn1.CCC(C)CNC(=O)c1ccc(COc2cc(C)cc(F)c2)cn1.CCCCNC(=O)c1ccc(COc2cc(C)cc(F)c2)cn1.Cc1cc(F)cc(OCc2ccc(C(=O)NCC(C)(C)CN(C)C)nc2)c1.Cc1cc(F)cc(OCc2ccc(C(=O)NCC(C)C)nc2)c1.Cc1cc(F)cc(OCc2ccc(C(=O)NCCC#N)nc2)c1.Cc1cc(F)cc(OCc2ccc(C(=O)NCCC(C)C)nc2)c1 |
| InChI | InChI=1S/C21H26F2N2O2.C21H28FN3O2.2C19H23FN2O2.2C18H21FN2O2.C17H16FN3O2/c1-15(2)11-25-20(26)19-8-7-18(12-24-19)14-27-13-17-6-4-5-16(9-17)10-21(3,22)23;1-15-8-17(22)10-18(9-15)27-12-16-6-7-19(23-11-16)20(26)24-13-21(2,3)14-25(4)5;1-13(2)6-7-21-19(23)18-5-4-15(11-22-18)12-24-17-9-14(3)8-16(20)10-17;1-4-13(2)10-22-19(23)18-6-5-15(11-21-18)12-24-17-8-14(3)7-16(20)9-17;1-12(2)9-21-18(22)17-5-4-14(10-20-17)11-23-16-7-13(3)6-15(19)8-16;1-3-4-7-20-18(22)17-6-5-14(11-21-17)12-23-16-9-13(2)8-15(19)10-16;1-12-7-14(18)9-15(8-12)23-11-13-3-4-16(21-10-13)17(22)20-6-2-5-19/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,25,26);6-11H,12-14H2,1-5H3,(H,24,26);4-5,8-11,13H,6-7,12H2,1-3H3,(H,21,23);5-9,11,13H,4,10,12H2,1-3H3,(H,22,23);4-8,10,12H,9,11H2,1-3H3,(H,21,22);5-6,8-11H,3-4,7,12H2,1-2H3,(H,20,22);3-4,7-10H,2,6,11H2,1H3,(H,20,22) |
| InChIKey | SENMLGMKSCTZNC-UHFFFAOYSA-N |
| XLogP | 25.46 |
| TPSA | 385.57 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 171 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2356.81 |
| LogP ≤ 5 | 25.46 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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