C208H276F2N18O7 — CID 157235393
N-[[4-(2-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(2-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(3-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(4-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide (PubChem CID 157235393) has the molecular formula C208H276F2N18O7 and a molecular weight of 3178.61 g/mol. Its IUPAC name is N-[[4-(2-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(2-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(3-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(4-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide.
| Compound Name | N-[[4-(2-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(2-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(3-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(4-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide |
|---|---|
| PubChem CID | 157235393 |
| Molecular Formula | C208H276F2N18O7 |
| Molecular Weight | 3178.61 g/mol |
| Exact Mass | 3176.18 |
| IUPAC Name | N-[[4-(2-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(2-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(3-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(4-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide |
| SMILES | CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccc(C)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccc(F)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccc(OC)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3C)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccccc3F)cc2)C2CCN(CCC(C)C)CC2)nc1 |
| InChI | InChI=1S/C35H47N3O2.3C35H47N3O.2C34H44FN3O/c1-5-6-7-9-28-14-17-34(36-25-28)35(39)38(32-19-22-37(23-20-32)21-18-27(2)3)26-29-12-15-30(16-13-29)31-10-8-11-33(24-31)40-4;1-5-6-7-11-29-15-18-34(36-25-29)35(39)38(32-20-23-37(24-21-32)22-19-27(2)3)26-30-13-16-31(17-14-30)33-12-9-8-10-28(33)4;1-5-6-7-10-29-14-17-34(36-25-29)35(39)38(33-19-22-37(23-20-33)21-18-27(2)3)26-30-12-15-31(16-13-30)32-11-8-9-28(4)24-32;1-5-6-7-8-29-13-18-34(36-25-29)35(39)38(33-20-23-37(24-21-33)22-19-27(2)3)26-30-11-16-32(17-12-30)31-14-9-28(4)10-15-31;1-4-5-6-9-27-14-17-33(36-24-27)34(39)38(30-19-22-37(23-20-30)21-18-26(2)3)25-28-12-15-29(16-13-28)31-10-7-8-11-32(31)35;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/h8,10-17,24-25,27,32H,5-7,9,18-23,26H2,1-4H3;8-10,12-18,25,27,32H,5-7,11,19-24,26H2,1-4H3;8-9,11-17,24-25,27,33H,5-7,10,18-23,26H2,1-4H3;9-18,25,27,33H,5-8,19-24,26H2,1-4H3;7-8,10-17,24,26,30H,4-6,9,18-23,25H2,1-3H3;7,9-16,23-24,26,32H,4-6,8,17-22,25H2,1-3H3 |
| InChIKey | AUOPOYSXADOJBW-UHFFFAOYSA-N |
| XLogP | 47.02 |
| TPSA | 227.87 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 73 |
| Heavy Atoms | 235 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3178.61 |
| LogP ≤ 5 | 47.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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