1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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

C191H187N31O29 — CID 158168511

About 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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

1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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 158168511) has the molecular formula C191H187N31O29 and a molecular weight of 3380.78 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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: 158168511
• Molecular Formula: C191H187N31O29
• Molecular Weight: 3380.78 g/mol
• Exact Mass: 3378.41
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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: CCC(=O)c1cn(CC)c2cc(OC)ccc12.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)c2cccc(C)c2)c(C#N)c2ccc(OC)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.CCn1cc(C(=O)c2ccccc2)c2cc(OC)ccc21.CCn1cc(C(=O)c2ccccc2)c2ccc(OC)cc21.COc1ccc2c(C#N)c(C)n(-c3ccc4c(c3)OCO4)c2c1
• InChI: InChI=1S/C20H19N3O2.C18H14N4O3.C18H14N2O3.2C18H17NO2.C16H17N3O2.C15H17N3O2.C15H13N3.C14H17N3O4.C14H17NO2.C13H12N4O3.C12H13N3O4/c1-4-23-18-11-15(25-3)8-9-16(18)17(12-21)19(23)22-20(24)14-7-5-6-13(2)10-14;1-2-21-16-10-13(22(24)25)8-9-14(16)15(11-19)17(21)20-18(23)12-6-4-3-5-7-12;1-11-15(9-19)14-5-4-13(21-2)8-16(14)20(11)12-3-6-17-18(7-12)23-10-22-17;1-3-19-12-16(18(20)13-7-5-4-6-8-13)15-11-14(21-2)9-10-17(15)19;1-3-19-12-16(18(20)13-7-5-4-6-8-13)15-10-9-14(21-2)11-17(15)19;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;1-4-14(16)12-9-15(5-2)13-8-10(17-3)6-7-11(12)13;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/h5-11H,4H2,1-3H3,(H,22,24);3-10H,2H2,1H3,(H,20,23);3-8H,10H2,1-2H3;2*4-12H,3H2,1-2H3;6-10H,3-5H2,1-2H3;6-9H,4-5H2,1-3H3;3-9,11H,2H2,1H3;6-8,15H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;4-6H,3H2,1-2H3,(H,15,18);4-6H,3,13H2,1-2H3
• InChIKey: DZPCPXAZGAXASC-UHFFFAOYSA-N
• XLogP: 39.74
• TPSA: 745.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 53
• Rotatable Bonds: 43
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3380.78
LogP ≤ 5	39.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	53

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 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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 (CID 158168511) is 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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 is CCC(=O)c1cn(CC)c2cc(OC)ccc12.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)c2cccc(C)c2)c(C#N)c2ccc(OC)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.CCn1cc(C(=O)c2ccccc2)c2cc(OC)ccc21.CCn1cc(C(=O)c2ccccc2)c2ccc(OC)cc21.COc1ccc2c(C#N)c(C)n(-c3ccc4c(c3)OCO4)c2c1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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?

The InChIKey is DZPCPXAZGAXASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2.C18H14N4O3.C18H14N2O3.2C18H17NO2.C16H17N3O2.C15H17N3O2.C15H13N3.C14H17N3O4.C14H17NO2.C13H12N4O3.C12H13N3O4/c1-4-23-18-11-15(25-3)8-9-16(18)17(12-21)19(23)22-20(24)14-7-5-6-13(2)10-14;1-2-21-16-10-13(22(24)25)8-9-14(16)15(11-19)17(21)20-18(23)12-6-4-3-5-7-12;1-11-15(9-19)14-5-4-13(21-2)8-16(14)20(11)12-3-6-17-18(7-12)23-10-22-17;1-3-19-12-16(18(20)13-7-5-4-6-8-13)15-11-14(21-2)9-10-17(15)19;1-3-19-12-16(18(20)13-7-5-4-6-8-13)15-10-9-14(21-2)11-17(15)19;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;1-4-14(16)12-9-15(5-2)13-8-10(17-3)6-7-11(12)13;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/h5-11H,4H2,1-3H3,(H,22,24);3-10H,2H2,1H3,(H,20,23);3-8H,10H2,1-2H3;2*4-12H,3H2,1-2H3;6-10H,3-5H2,1-2H3;6-9H,4-5H2,1-3H3;3-9,11H,2H2,1H3;6-8,15H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3;4-6H,3H2,1-2H3,(H,15,18);4-6H,3,13H2,1-2H3.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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?

1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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 has a molecular weight of 3380.78 g/mol, XLogP of 39.74, 43 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-6-methoxy-2-methylindole-3-carbonitrile;N-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-3-methylbenzamide;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-5-methoxyindol-3-yl)-phenylmethanone;(1-ethyl-6-methoxyindol-3-yl)-phenylmethanone;1-(1-ethyl-6-methoxyindol-3-yl)propan-1-one;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 is sourced from PubChem (CID 158168511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).