C180H193F7N22O17 — CID 157374359
N-benzyl-2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]acetamide;2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 157374359) has the molecular formula C180H193F7N22O17 and a molecular weight of 3069.65 g/mol. Its IUPAC name is N-benzyl-2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]acetamide;2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide.
| Compound Name | N-benzyl-2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]acetamide;2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide |
|---|---|
| PubChem CID | 157374359 |
| Molecular Formula | C180H193F7N22O17 |
| Molecular Weight | 3069.65 g/mol |
| Exact Mass | 3067.48 |
| IUPAC Name | N-benzyl-2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;N-benzyl-2-[6-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]acetamide;2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[6-[2-fluoro-6-(morpholin-4-ylmethyl)-3-pyridinyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide |
| SMILES | Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)cc3F)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(CN4CCOCC4)nc3F)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)nc3F)cc2)c1.O=C(Cc1ccc(-c2ccc(CN3CCOCC3)cc2F)nc1)NCc1ccccc1.O=C(Cc1ccc(-c2ccc(CN3CCOCC3)nc2F)cc1)NCc1ccccc1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)nc1)NCc1ccccc1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)nc2F)cc1)NCc1ccccc1 |
| InChI | InChI=1S/C27H30FN3O3.2C26H28FN3O3.C26H28FN3O2.C25H27FN4O2.2C25H26FN3O2/c1-20-3-2-4-22(17-20)19-29-25(32)18-21-5-7-23(8-6-21)24-9-10-26(30-27(24)28)34-16-13-31-11-14-33-15-12-31;27-24-17-22(33-15-12-30-10-13-32-14-11-30)7-8-23(24)25-9-6-21(19-28-25)16-26(31)29-18-20-4-2-1-3-5-20;27-26-23(10-11-25(29-26)33-17-14-30-12-15-32-16-13-30)22-8-6-20(7-9-22)18-24(31)28-19-21-4-2-1-3-5-21;1-19-3-2-4-20(13-19)17-29-26(31)15-21-6-8-25(28-16-21)23-7-5-22(14-24(23)27)18-30-9-11-32-12-10-30;1-18-3-2-4-19(13-18)16-28-24(31)14-20-5-8-23(27-15-20)22-7-6-21(29-25(22)26)17-30-9-11-32-12-10-30;26-23-14-21(18-29-10-12-31-13-11-29)6-8-22(23)24-9-7-20(17-27-24)15-25(30)28-16-19-4-2-1-3-5-19;26-25-23(11-10-22(28-25)18-29-12-14-31-15-13-29)21-8-6-19(7-9-21)16-24(30)27-17-20-4-2-1-3-5-20/h2-10,17H,11-16,18-19H2,1H3,(H,29,32);1-9,17,19H,10-16,18H2,(H,29,31);1-11H,12-19H2,(H,28,31);2-8,13-14,16H,9-12,15,17-18H2,1H3,(H,29,31);2-8,13,15H,9-12,14,16-17H2,1H3,(H,28,31);1-9,14,17H,10-13,15-16,18H2,(H,28,30);1-11H,12-18H2,(H,27,30) |
| InChIKey | BKDKSMGHUYQLHH-UHFFFAOYSA-N |
| XLogP | 25.01 |
| TPSA | 421.80 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 226 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3069.65 |
| LogP ≤ 5 | 25.01 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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