C211H279ClFN19O7 — CID 158863336
N-[[4-(3-chlorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-cyano-4-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(2,5-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,4-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-hydroxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide (PubChem CID 158863336) has the molecular formula C211H279ClFN19O7 and a molecular weight of 3248.13 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-cyano-4-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(2,5-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,4-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-hydroxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide.
| Compound Name | N-[[4-(3-chlorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-cyano-4-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(2,5-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,4-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-hydroxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide |
|---|---|
| PubChem CID | 158863336 |
| Molecular Formula | C211H279ClFN19O7 |
| Molecular Weight | 3248.13 g/mol |
| Exact Mass | 3245.17 |
| IUPAC Name | N-[[4-(3-chlorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-cyano-4-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(2,5-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,4-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-hydroxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide |
| SMILES | CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cc(C)ccc3C)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C)c(C)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(F)c(C#N)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccc(Cl)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccc(O)c3)cc2)C2CCN(CCC(C)C)CC2)nc1 |
| InChI | InChI=1S/3C36H49N3O.C35H43FN4O.C34H44ClN3O.C34H45N3O2/c1-6-7-8-9-30-13-17-35(37-25-30)36(40)39(34-19-22-38(23-20-34)21-18-27(2)3)26-31-11-15-32(16-12-31)33-14-10-28(4)29(5)24-33;1-6-7-8-9-30-12-15-35(37-25-30)36(40)39(34-17-20-38(21-18-34)19-16-27(2)3)26-31-10-13-32(14-11-31)33-23-28(4)22-29(5)24-33;1-6-7-8-9-30-14-17-35(37-25-30)36(40)39(33-19-22-38(23-20-33)21-18-27(2)3)26-31-12-15-32(16-13-31)34-24-28(4)10-11-29(34)5;1-4-5-6-7-27-10-15-34(38-24-27)35(41)40(32-17-20-39(21-18-32)19-16-26(2)3)25-28-8-11-29(12-9-28)30-13-14-33(36)31(22-30)23-37;1-4-5-6-8-27-13-16-33(36-24-27)34(39)38(32-18-21-37(22-19-32)20-17-26(2)3)25-28-11-14-29(15-12-28)30-9-7-10-31(35)23-30;1-4-5-6-8-27-13-16-33(35-24-27)34(39)37(31-18-21-36(22-19-31)20-17-26(2)3)25-28-11-14-29(15-12-28)30-9-7-10-32(38)23-30/h10-17,24-25,27,34H,6-9,18-23,26H2,1-5H3;10-15,22-25,27,34H,6-9,16-21,26H2,1-5H3;10-17,24-25,27,33H,6-9,18-23,26H2,1-5H3;8-15,22,24,26,32H,4-7,16-21,25H2,1-3H3;7,9-16,23-24,26,32H,4-6,8,17-22,25H2,1-3H3;7,9-16,23-24,26,31,38H,4-6,8,17-22,25H2,1-3H3 |
| InChIKey | JAXNAPFTFQRVFR-UHFFFAOYSA-N |
| XLogP | 48.03 |
| TPSA | 262.66 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 72 |
| Heavy Atoms | 239 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3248.13 |
| LogP ≤ 5 | 48.03 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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