C210H273F6N19O8 — CID 158856534
N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluoro-4-methylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(4-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 158856534) has the molecular formula C210H273F6N19O8 and a molecular weight of 3305.61 g/mol. Its IUPAC name is N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluoro-4-methylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(4-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxamide.
| Compound Name | N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluoro-4-methylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(4-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 158856534 |
| Molecular Formula | C210H273F6N19O8 |
| Molecular Weight | 3305.61 g/mol |
| Exact Mass | 3303.14 |
| IUPAC Name | N-[[4-(3-cyanophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,4-dimethoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluoro-4-methylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(4-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyridine-2-carboxamide |
| SMILES | CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C)c(F)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)c(C)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(OC)c(OC)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccc(C#N)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)C2CCN(CCC(C)C)CC2)nc1 |
| InChI | InChI=1S/C36H49N3O3.C35H44F3N3O.2C35H46FN3O.C35H44N4O.C34H44FN3O/c1-6-7-8-9-28-12-16-33(37-25-28)36(40)39(32-19-22-38(23-20-32)21-18-27(2)3)26-29-10-13-30(14-11-29)31-15-17-34(41-4)35(24-31)42-5;1-4-5-6-8-27-13-16-33(39-24-27)34(42)41(32-18-21-40(22-19-32)20-17-26(2)3)25-28-11-14-29(15-12-28)30-9-7-10-31(23-30)35(36,37)38;1-5-6-7-8-28-12-16-34(37-24-28)35(40)39(32-18-21-38(22-19-32)20-17-26(2)3)25-29-10-14-30(15-11-29)31-13-9-27(4)33(36)23-31;1-5-6-7-8-28-11-16-34(37-24-28)35(40)39(32-18-21-38(22-19-32)20-17-26(2)3)25-29-9-12-30(13-10-29)31-14-15-33(36)27(4)23-31;1-4-5-6-8-28-13-16-34(37-25-28)35(40)39(33-18-21-38(22-19-33)20-17-27(2)3)26-29-11-14-31(15-12-29)32-10-7-9-30(23-32)24-36;1-4-5-6-7-27-10-17-33(36-24-27)34(39)38(32-19-22-37(23-20-32)21-18-26(2)3)25-28-8-11-29(12-9-28)30-13-15-31(35)16-14-30/h10-17,24-25,27,32H,6-9,18-23,26H2,1-5H3;7,9-16,23-24,26,32H,4-6,8,17-22,25H2,1-3H3;2*9-16,23-24,26,32H,5-8,17-22,25H2,1-4H3;7,9-16,23,25,27,33H,4-6,8,17-22,26H2,1-3H3;8-17,24,26,32H,4-7,18-23,25H2,1-3H3 |
| InChIKey | JACWRFCGPRMXKY-UHFFFAOYSA-N |
| XLogP | 47.75 |
| TPSA | 260.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 74 |
| Heavy Atoms | 243 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3305.61 |
| LogP ≤ 5 | 47.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|