N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile

C138H118F2N18O13 — CID 158383772

About N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile

N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile (PubChem CID 158383772) has the molecular formula C138H118F2N18O13 and a molecular weight of 2274.57 g/mol. Its IUPAC name is N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile.

Molecular Properties

• Compound Name: N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile
• PubChem CID: 158383772
• Molecular Formula: C138H118F2N18O13
• Molecular Weight: 2274.57 g/mol
• Exact Mass: 2272.91
• IUPAC Name: N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile
• SMILES: C.CCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(C#Cc2ccc(NC(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2F)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(C#N)c3ccc([N+](=O)[O-])cc32)cc1.Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C#N
• InChI: InChI=1S/C25H23N3O2.C24H23N3O2.C22H20N2O2.2C20H15FN2O.C16H11N3O3.C10H7N3O2.CH4/c1-3-28-23(22(16-26)21-13-12-20(30-2)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(29)18-5-4-6-18;1-5-27-22(21(15-25)20-12-11-19(29-4)14-23(20)27)13-8-17-6-9-18(10-7-17)26-24(28)16(2)3;1-4-24-21(13-8-16-6-9-17(10-7-16)26-5-2)20(15-23)19-12-11-18(25-3)14-22(19)24;1-3-23-19(10-7-14-5-4-6-15(21)11-14)18(13-22)17-9-8-16(24-2)12-20(17)23;1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23;1-22-14-5-2-12(3-6-14)18-10-11(9-17)15-7-4-13(19(20)21)8-16(15)18;1-6-9(5-11)8-3-2-7(13(14)15)4-10(8)12-6;/h7-8,10-13,15,18H,3-6H2,1-2H3,(H,27,29);6-7,9-12,14,16H,5H2,1-4H3,(H,26,28);6-7,9-12,14H,4-5H2,1-3H3;4-6,8-9,11-12H,3H2,1-2H3;4-7,9-10,12H,3H2,1-2H3;2-8,10H,1H3;2-4,12H,1H3;1H4
• InChIKey: ZBUHTMDLPHJSOR-UHFFFAOYSA-N
• XLogP: 28.03
• TPSA: 420.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 20
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2274.57
LogP ≤ 5	28.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile?

The IUPAC name of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile (CID 158383772) is N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile.

What is the SMILES notation for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile?

The canonical SMILES for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile is C.CCOc1ccc(C#Cc2c(C#N)c3ccc(OC)cc3n2CC)cc1.CCn1c(C#Cc2ccc(NC(=O)C(C)C)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccc(NC(=O)C3CCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2cccc(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(C#Cc2ccccc2F)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(C#N)c3ccc([N+](=O)[O-])cc32)cc1.Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C#N.

What is the InChIKey of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile?

The InChIKey is ZBUHTMDLPHJSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H23N3O2.C22H20N2O2.2C20H15FN2O.C16H11N3O3.C10H7N3O2.CH4/c1-3-28-23(22(16-26)21-13-12-20(30-2)15-24(21)28)14-9-17-7-10-19(11-8-17)27-25(29)18-5-4-6-18;1-5-27-22(21(15-25)20-12-11-19(29-4)14-23(20)27)13-8-17-6-9-18(10-7-17)26-24(28)16(2)3;1-4-24-21(13-8-16-6-9-17(10-7-16)26-5-2)20(15-23)19-12-11-18(25-3)14-22(19)24;1-3-23-19(10-7-14-5-4-6-15(21)11-14)18(13-22)17-9-8-16(24-2)12-20(17)23;1-3-23-19(11-8-14-6-4-5-7-18(14)21)17(13-22)16-10-9-15(24-2)12-20(16)23;1-22-14-5-2-12(3-6-14)18-10-11(9-17)15-7-4-13(19(20)21)8-16(15)18;1-6-9(5-11)8-3-2-7(13(14)15)4-10(8)12-6;/h7-8,10-13,15,18H,3-6H2,1-2H3,(H,27,29);6-7,9-12,14,16H,5H2,1-4H3,(H,26,28);6-7,9-12,14H,4-5H2,1-3H3;4-6,8-9,11-12H,3H2,1-2H3;4-7,9-10,12H,3H2,1-2H3;2-8,10H,1H3;2-4,12H,1H3;1H4.

What are the key properties of N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile?

N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile has a molecular weight of 2274.57 g/mol, XLogP of 28.03, 20 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]cyclobutanecarboxamide;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methylpropanamide;2-[2-(4-ethoxyphenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(2-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;1-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6-methoxyindole-3-carbonitrile;methane;1-(4-methoxyphenyl)-6-nitroindole-3-carbonitrile;2-methyl-6-nitro-1H-indole-3-carbonitrile is sourced from PubChem (CID 158383772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).