C103H103N23O18 — CID 157312833
N-(3-cyano-1-ethyl-6-nitroindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;5-cyclopropyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;1-ethyl-6-pyrrol-1-ylindole-3-carbonitrile;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate (PubChem CID 157312833) has the molecular formula C103H103N23O18 and a molecular weight of 1951.10 g/mol. Its IUPAC name is N-(3-cyano-1-ethyl-6-nitroindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;5-cyclopropyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;1-ethyl-6-pyrrol-1-ylindole-3-carbonitrile;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate.
| Compound Name | N-(3-cyano-1-ethyl-6-nitroindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;5-cyclopropyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;1-ethyl-6-pyrrol-1-ylindole-3-carbonitrile;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate |
|---|---|
| PubChem CID | 157312833 |
| Molecular Formula | C103H103N23O18 |
| Molecular Weight | 1951.10 g/mol |
| Exact Mass | 1949.79 |
| IUPAC Name | N-(3-cyano-1-ethyl-6-nitroindol-2-yl)acetamide;N-(3-cyano-1-ethyl-6-nitroindol-2-yl)benzamide;5-cyclopropyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;5-ethyl-3-(1-ethyl-6-methoxyindol-3-yl)-1,2,4-oxadiazole;1-ethyl-6-pyrrol-1-ylindole-3-carbonitrile;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate |
| SMILES | CCNc1c(C(=O)OC)c2ccc([N+](=O)[O-])cc2n1CC.CCc1nc(-c2cn(CC)c3cc(OC)ccc23)no1.CCn1c(N)c(C(=O)OC)c2ccc([N+](=O)[O-])cc21.CCn1c(NC(=O)c2ccccc2)c(C#N)c2ccc([N+](=O)[O-])cc21.CCn1c(NC(C)=O)c(C#N)c2ccc([N+](=O)[O-])cc21.CCn1cc(-c2noc(C3CC3)n2)c2ccc(OC)cc21.CCn1cc(C#N)c2ccc(-n3cccc3)cc21 |
| InChI | InChI=1S/C18H14N4O3.C16H17N3O2.C15H17N3O2.C15H13N3.C14H17N3O4.C13H12N4O3.C12H13N3O4/c1-2-21-16-10-13(22(24)25)8-9-14(16)15(11-19)17(21)20-18(23)12-6-4-3-5-7-12;1-3-19-9-13(12-7-6-11(20-2)8-14(12)19)15-17-16(21-18-15)10-4-5-10;1-4-14-16-15(17-20-14)12-9-18(5-2)13-8-10(19-3)6-7-11(12)13;1-2-17-11-12(10-16)14-6-5-13(9-15(14)17)18-7-3-4-8-18;1-4-15-13-12(14(18)21-3)10-7-6-9(17(19)20)8-11(10)16(13)5-2;1-3-16-12-6-9(17(19)20)4-5-10(12)11(7-14)13(16)15-8(2)18;1-3-14-9-6-7(15(17)18)4-5-8(9)10(11(14)13)12(16)19-2/h3-10H,2H2,1H3,(H,20,23);6-10H,3-5H2,1-2H3;6-9H,4-5H2,1-3H3;3-9,11H,2H2,1H3;6-8,15H,4-5H2,1-3H3;4-6H,3H2,1-2H3,(H,15,18);4-6H,3,13H2,1-2H3 |
| InChIKey | JBNYXCLXALUVEH-UHFFFAOYSA-N |
| XLogP | 21.02 |
| TPSA | 528.52 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1951.10 |
| LogP ≤ 5 | 21.02 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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