C122H145N19O8 — CID 158172082
N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide;[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]methanol (PubChem CID 158172082) has the molecular formula C122H145N19O8 and a molecular weight of 2005.63 g/mol. Its IUPAC name is N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide;[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]methanol.
| Compound Name | N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide;[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]methanol |
|---|---|
| PubChem CID | 158172082 |
| Molecular Formula | C122H145N19O8 |
| Molecular Weight | 2005.63 g/mol |
| Exact Mass | 2004.15 |
| IUPAC Name | N-ethyl-2-[2-methoxy-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methoxy-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methyl-4-[6-(2-pyridin-2-ylpentyl)pyrazin-2-yl]phenyl]acetamide;N-ethyl-2-[2-methyl-4-[6-[(2R)-2-pyridin-3-ylpentyl]pyrazin-2-yl]phenyl]acetamide;[2-methoxy-4-[6-(2-pyridin-3-ylpentyl)pyrazin-2-yl]phenyl]methanol |
| SMILES | CCCC(Cc1cncc(-c2ccc(CC(=O)NCC)c(C)c2)n1)c1ccccn1.CCCC(Cc1cncc(-c2ccc(CC(=O)NCC)c(OC)c2)n1)c1ccccn1.CCCC(Cc1cncc(-c2ccc(CO)c(OC)c2)n1)c1cccnc1.CCC[C@H](Cc1cncc(-c2ccc(CC(=O)NCC)c(C)c2)n1)c1cccnc1.CCC[C@H](Cc1cncc(-c2ccc(CC(=O)NCC)c(OC)c2)n1)c1cccnc1 |
| InChI | InChI=1S/2C25H30N4O2.2C25H30N4O.C22H25N3O2/c1-4-8-18(22-9-6-7-12-28-22)13-21-16-26-17-23(29-21)19-10-11-20(24(14-19)31-3)15-25(30)27-5-2;1-4-7-18(21-8-6-11-26-15-21)12-22-16-27-17-23(29-22)19-9-10-20(24(13-19)31-3)14-25(30)28-5-2;1-4-8-20(23-9-6-7-12-28-23)14-22-16-26-17-24(29-22)21-11-10-19(18(3)13-21)15-25(30)27-5-2;1-4-7-20(22-8-6-11-26-15-22)13-23-16-27-17-24(29-23)21-10-9-19(18(3)12-21)14-25(30)28-5-2;1-3-5-16(18-6-4-9-23-12-18)10-20-13-24-14-21(25-20)17-7-8-19(15-26)22(11-17)27-2/h6-7,9-12,14,16-18H,4-5,8,13,15H2,1-3H3,(H,27,30);6,8-11,13,15-18H,4-5,7,12,14H2,1-3H3,(H,28,30);6-7,9-13,16-17,20H,4-5,8,14-15H2,1-3H3,(H,27,30);6,8-12,15-17,20H,4-5,7,13-14H2,1-3H3,(H,28,30);4,6-9,11-14,16,26H,3,5,10,15H2,1-2H3/t;18-;;20-;/m.1.1./s1 |
| InChIKey | FXOQHGIILNCRCX-GXVRNKAYSA-N |
| XLogP | 22.17 |
| TPSA | 357.67 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 149 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2005.63 |
| LogP ≤ 5 | 22.17 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 23 |