C183H205N21O14 — CID 158437922
N-benzyl-2-[5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide;2-[4-methyl-5-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 158437922) has the molecular formula C183H205N21O14 and a molecular weight of 2922.79 g/mol. Its IUPAC name is N-benzyl-2-[5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide;2-[4-methyl-5-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.
| Compound Name | N-benzyl-2-[5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide;2-[4-methyl-5-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide |
|---|---|
| PubChem CID | 158437922 |
| Molecular Formula | C183H205N21O14 |
| Molecular Weight | 2922.79 g/mol |
| Exact Mass | 2920.60 |
| IUPAC Name | N-benzyl-2-[5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide;2-[4-methyl-5-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-methyl-5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(2R)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[5-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide |
| SMILES | C[C@H]1COCCN1c1ccc(-c2ccc(CC(=O)NCc3ccccc3)nc2)cc1.Cc1cccc(CNC(=O)Cc2cc(C)c(-c3ccc(N4CCOC[C@@H]4C)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2cc(C)c(-c3ccc(N4CCOC[C@H]4C)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOC[C@@H]4C)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOC[C@H]4C)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCO[C@@H](C)C4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCO[C@H](C)C4)cc3)cn2)c1 |
| InChI | InChI=1S/2C27H31N3O2.4C26H29N3O2.C25H27N3O2/c2*1-19-5-4-6-22(13-19)16-29-27(31)15-24-14-20(2)26(17-28-24)23-7-9-25(10-8-23)30-11-12-32-18-21(30)3;2*1-19-4-3-5-21(14-19)16-28-26(30)15-24-9-6-23(17-27-24)22-7-10-25(11-8-22)29-12-13-31-18-20(29)2;2*1-19-4-3-5-21(14-19)16-28-26(30)15-24-9-6-23(17-27-24)22-7-10-25(11-8-22)29-12-13-31-20(2)18-29;1-19-18-30-14-13-28(19)24-11-8-21(9-12-24)22-7-10-23(26-17-22)15-25(29)27-16-20-5-3-2-4-6-20/h2*4-10,13-14,17,21H,11-12,15-16,18H2,1-3H3,(H,29,31);4*3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,28,30);2-12,17,19H,13-16,18H2,1H3,(H,27,29)/t2*21-;4*20-;19-/m1010100/s1 |
| InChIKey | HCLOXMWIQJVZOY-SBJVXCJCSA-N |
| XLogP | 29.30 |
| TPSA | 381.22 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 218 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2922.79 |
| LogP ≤ 5 | 29.30 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 28 |