2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile

C128H120N18O14 — CID 161219908

About 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile

2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile (PubChem CID 161219908) has the molecular formula C128H120N18O14 and a molecular weight of 2134.48 g/mol. Its IUPAC name is 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
• PubChem CID: 161219908
• Molecular Formula: C128H120N18O14
• Molecular Weight: 2134.48 g/mol
• Exact Mass: 2132.92
• IUPAC Name: 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(C(=O)N3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)N3CCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)NC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C23H23N3O2.C22H21N3O2.2C21H19N3O3.C21H19N3O2.C20H19N3O2/c1-3-26-21-12-11-18(28-2)13-19(21)20(14-24)22(26)15-7-9-17(10-8-15)25-23(27)16-5-4-6-16;1-3-25-20-10-9-17(27-2)13-18(20)19(14-23)21(25)15-5-7-16(8-6-15)22(26)24-11-4-12-24;1-3-23-19-12-16(26-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)24-10-11-27-21(24)25;1-3-23-19-12-16(26-2)7-8-17(19)18(13-22)20(23)14-5-4-6-15(11-14)24-9-10-27-21(24)25;1-3-24-19-9-8-16(26-2)12-17(19)18(13-22)20(24)14-4-6-15(7-5-14)21(25)23-10-11-23;1-4-23-18-10-9-15(25-3)11-16(18)17(12-21)19(23)13-5-7-14(8-6-13)20(24)22-2/h7-13,16H,3-6H2,1-2H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3;4-9,12H,3,10-11H2,1-2H3;4-8,11-12H,3,9-10H2,1-2H3;4-9,12H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3,(H,22,24)
• InChIKey: UXJGLWDRQQHGGC-UHFFFAOYSA-N
• XLogP: 24.56
• TPSA: 385.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.48
LogP ≤ 5	24.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?

The IUPAC name of 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile (CID 161219908) is 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile.

What is the SMILES notation for 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?

The canonical SMILES for 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile is CCn1c(-c2ccc(C(=O)N3CC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)N3CCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(C(=O)NC)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2cc(OC)ccc21.CCn1c(-c2cccc(N3CCOC3=O)c2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?

The InChIKey is UXJGLWDRQQHGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2.C22H21N3O2.2C21H19N3O3.C21H19N3O2.C20H19N3O2/c1-3-26-21-12-11-18(28-2)13-19(21)20(14-24)22(26)15-7-9-17(10-8-15)25-23(27)16-5-4-6-16;1-3-25-20-10-9-17(27-2)13-18(20)19(14-23)21(25)15-5-7-16(8-6-15)22(26)24-11-4-12-24;1-3-23-19-12-16(26-2)8-9-17(19)18(13-22)20(23)14-4-6-15(7-5-14)24-10-11-27-21(24)25;1-3-23-19-12-16(26-2)7-8-17(19)18(13-22)20(23)14-5-4-6-15(11-14)24-9-10-27-21(24)25;1-3-24-19-9-8-16(26-2)12-17(19)18(13-22)20(24)14-4-6-15(7-5-14)21(25)23-10-11-23;1-4-23-18-10-9-15(25-3)11-16(18)17(12-21)19(23)13-5-7-14(8-6-13)20(24)22-2/h7-13,16H,3-6H2,1-2H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3;4-9,12H,3,10-11H2,1-2H3;4-8,11-12H,3,9-10H2,1-2H3;4-9,12H,3,10-11H2,1-2H3;5-11H,4H2,1-3H3,(H,22,24).

What are the key properties of 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile?

2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile has a molecular weight of 2134.48 g/mol, XLogP of 24.56, 25 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(azetidine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;2-[4-(aziridine-1-carbonyl)phenyl]-1-ethyl-5-methoxyindole-3-carbonitrile;4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)-N-methylbenzamide;N-[4-(3-cyano-1-ethyl-5-methoxyindol-2-yl)phenyl]cyclobutanecarboxamide;1-ethyl-6-methoxy-2-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 161219908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).