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

C77H73N17O10 — CID 159004084

About 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

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 (PubChem CID 159004084) has the molecular formula C77H73N17O10 and a molecular weight of 1396.54 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.

Molecular Properties

• 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
• PubChem CID: 159004084
• Molecular Formula: C77H73N17O10
• Molecular Weight: 1396.54 g/mol
• Exact Mass: 1395.57
• 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
• SMILES: CCc1nc(-c2cn(CC)c3cc(OC)ccc23)no1.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.C13H12N4O3/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;1-3-16-12-6-9(17(19)20)4-5-10(12)11(7-14)13(16)15-8(2)18/h3-10H,2H2,1H3,(H,20,23);6-10H,3-5H2,1-2H3;6-9H,4-5H2,1-3H3;3-9,11H,2H2,1H3;4-6H,3H2,1-2H3,(H,15,18)
• InChIKey: DSFVEUHJRKSZEM-UHFFFAOYSA-N
• XLogP: 16.30
• TPSA: 341.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1396.54
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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 (CID 159004084) 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCc1nc(-c2cn(CC)c3cc(OC)ccc23)no1.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.

What is the InChIKey of 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?

The InChIKey is DSFVEUHJRKSZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3.C16H17N3O2.C15H17N3O2.C15H13N3.C13H12N4O3/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;1-3-16-12-6-9(17(19)20)4-5-10(12)11(7-14)13(16)15-8(2)18/h3-10H,2H2,1H3,(H,20,23);6-10H,3-5H2,1-2H3;6-9H,4-5H2,1-3H3;3-9,11H,2H2,1H3;4-6H,3H2,1-2H3,(H,15,18).

What are the key properties of 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?

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 has a molecular weight of 1396.54 g/mol, XLogP of 16.30, 17 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159004084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).