C144H170ClN13O7S2 — CID 162110064
2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol (PubChem CID 162110064) has the molecular formula C144H170ClN13O7S2 and a molecular weight of 2294.61 g/mol. Its IUPAC name is 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol.
| Compound Name | 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol |
|---|---|
| PubChem CID | 162110064 |
| Molecular Formula | C144H170ClN13O7S2 |
| Molecular Weight | 2294.61 g/mol |
| Exact Mass | 2292.25 |
| IUPAC Name | 2-benzyl-4-propan-2-ylpyridine;2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;N,N-dimethyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;1-[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]ethenamine;[4-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol |
| SMILES | C=C(N)c1cccc(-c2cc(C(C)C)cnc2C)c1.CC(C)c1ccc(Cc2ccccc2Cl)nc1.CC(C)c1ccnc(Cc2ccccc2)c1.CNC(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.CNS(=O)(=O)c1ccc(-c2cc(C(C)C)cnc2C)cc1.COc1ccccc1Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cc1-c1ccc(CO)cc1.Cc1ncc(C(C)C)cc1-c1ccc(S(=O)(=O)N(C)C)cc1.Cc1ncc(C(C)C)cc1-c1ccccc1 |
| InChI | InChI=1S/C17H22N2O2S.C17H20N2O.C17H20N2.C16H20N2O2S.2C16H19NO.C15H16ClN.2C15H17N/c1-12(2)15-10-17(13(3)18-11-15)14-6-8-16(9-7-14)22(20,21)19(4)5;1-11(2)15-9-16(12(3)19-10-15)13-5-7-14(8-6-13)17(20)18-4;1-11(2)16-9-17(13(4)19-10-16)15-7-5-6-14(8-15)12(3)18;1-11(2)14-9-16(12(3)18-10-14)13-5-7-15(8-6-13)21(19,20)17-4;1-11(2)15-8-16(12(3)17-9-15)14-6-4-13(10-18)5-7-14;1-12(2)14-8-9-15(17-11-14)10-13-6-4-5-7-16(13)18-3;1-11(2)13-7-8-14(17-10-13)9-12-5-3-4-6-15(12)16;1-11(2)14-9-15(12(3)16-10-14)13-7-5-4-6-8-13;1-12(2)14-8-9-16-15(11-14)10-13-6-4-3-5-7-13/h6-12H,1-5H3;5-11H,1-4H3,(H,18,20);5-11H,3,18H2,1-2,4H3;5-11,17H,1-4H3;4-9,11,18H,10H2,1-3H3;4-9,11-12H,10H2,1-3H3;3-8,10-11H,9H2,1-2H3;4-11H,1-3H3;3-9,11-12H,10H2,1-2H3 |
| InChIKey | ZGAMIQFNJLCVNR-UHFFFAOYSA-N |
| XLogP | 34.07 |
| TPSA | 284.14 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 167 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2294.61 |
| LogP ≤ 5 | 34.07 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 17 |