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

C103H103N23O18 — CID 157312833

IUPACN-(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
SMILESCCNc1c(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
InChIInChI=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
InChIKeyJBNYXCLXALUVEH-UHFFFAOYSA-N
MW1951.10 g/mol
LogP21.02
Rot. Bonds25

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;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate

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.

Molecular Properties

Compound NameN-(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 CID157312833
Molecular FormulaC103H103N23O18
Molecular Weight1951.10 g/mol
Exact Mass1949.79
IUPAC NameN-(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
SMILESCCNc1c(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
InChIInChI=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
InChIKeyJBNYXCLXALUVEH-UHFFFAOYSA-N
XLogP21.02
TPSA528.52 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms144
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001951.10
LogP ≤ 521.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate?
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;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate (CID 157312833) 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.
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;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate?
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;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate is 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.
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;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate?
The InChIKey is JBNYXCLXALUVEH-UHFFFAOYSA-N. The full InChI is 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.
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;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate?
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 has a molecular weight of 1951.10 g/mol, XLogP of 21.02, 25 rotatable bonds, 4 hydrogen bond donors, and 35 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;methyl 2-amino-1-ethyl-6-nitroindole-3-carboxylate;methyl 1-ethyl-2-(ethylamino)-6-nitroindole-3-carboxylate is sourced from PubChem (CID 157312833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).