C188H214F3N21O21 — CID 160809798
N-benzyl-2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;ethane;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide (PubChem CID 160809798) has the molecular formula C188H214F3N21O21 and a molecular weight of 3160.90 g/mol. Its IUPAC name is N-benzyl-2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;ethane;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide.
| Compound Name | N-benzyl-2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;ethane;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide |
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| PubChem CID | 160809798 |
| Molecular Formula | C188H214F3N21O21 |
| Molecular Weight | 3160.90 g/mol |
| Exact Mass | 3158.63 |
| IUPAC Name | N-benzyl-2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-benzyl-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide;ethane;2-[6-[2-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide;2-[4-[2-fluoro-6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;N-[(3-methylphenyl)methyl]-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[4-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]phenyl]acetamide |
| SMILES | CC.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3F)nc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)nc3)cc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)nc3F)cc2)c1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)nc1)NCc1ccccc1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2F)nc1)NCc1ccccc1.O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)nc2)cc1)NCc1ccccc1 |
| InChI | InChI=1S/2C27H30FN3O3.2C27H31N3O3.C26H28FN3O3.2C26H29N3O3.C2H6/c1-20-3-2-4-21(15-20)19-30-27(32)16-22-5-8-26(29-18-22)24-7-6-23(17-25(24)28)34-14-11-31-9-12-33-13-10-31;1-20-3-2-4-22(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;1-21-3-2-4-22(17-21)20-29-27(31)18-23-5-10-26(28-19-23)24-6-8-25(9-7-24)33-16-13-30-11-14-32-15-12-30;1-21-3-2-4-23(17-21)19-28-26(31)18-22-5-7-24(8-6-22)25-9-10-27(29-20-25)33-16-13-30-11-14-32-15-12-30;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;30-26(28-19-21-4-2-1-3-5-21)18-22-6-11-25(27-20-22)23-7-9-24(10-8-23)32-17-14-29-12-15-31-16-13-29;30-25(27-19-22-4-2-1-3-5-22)18-21-6-8-23(9-7-21)24-10-11-26(28-20-24)32-17-14-29-12-15-31-16-13-29;1-2/h2-8,15,17-18H,9-14,16,19H2,1H3,(H,30,32);2-10,17H,11-16,18-19H2,1H3,(H,29,32);2-10,17,19H,11-16,18,20H2,1H3,(H,29,31);2-10,17,20H,11-16,18-19H2,1H3,(H,28,31);1-9,17,19H,10-16,18H2,(H,29,31);1-11,20H,12-19H2,(H,28,30);1-11,20H,12-19H2,(H,27,30);1-2H3 |
| InChIKey | SEDZWYIJBCPEIV-UHFFFAOYSA-N |
| XLogP | 25.91 |
| TPSA | 445.83 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 233 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3160.90 |
| LogP ≤ 5 | 25.91 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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