5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine

C86H100Cl3N23O20 — CID 158588324

About 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine

5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine (PubChem CID 158588324) has the molecular formula C86H100Cl3N23O20 and a molecular weight of 1882.25 g/mol. Its IUPAC name is 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine.

Molecular Properties

• Compound Name: 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine
• PubChem CID: 158588324
• Molecular Formula: C86H100Cl3N23O20
• Molecular Weight: 1882.25 g/mol
• Exact Mass: 1879.66
• IUPAC Name: 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine
• SMILES: CN(C)CCN.COC(=O)c1c(C(=O)O)cc([N+](=O)[O-])c(N)c1C.COc1nccc(Cl)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O.COc1nccc(Cl)c1C=O.Cc1c(N)c(N)cc2c1C(=O)N(CCN(C)C)C2=O.Cc1c(N)c([N+](=O)[O-])cc2c1C(=O)N(CCN(C)C)C2=O.Cc1c2c(cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc13)C(=O)N(CCN(C)C)C2=O
• InChI: InChI=1S/C20H20ClN5O3.C19H18ClN5O3.C13H16N4O4.C13H18N4O2.C10H10N2O6.C7H6ClNO2.C4H12N2/c1-10-14-11(19(27)26(20(14)28)8-7-25(2)3)9-13-16(10)24-17(23-13)15-12(21)5-6-22-18(15)29-4;1-9-13-10(18(27)25(19(13)28)7-6-24(2)3)8-12-15(9)23-16(22-12)14-11(20)4-5-21-17(14)26;1-7-10-8(6-9(11(7)14)17(20)21)12(18)16(13(10)19)5-4-15(2)3;1-7-10-8(6-9(14)11(7)15)12(18)17(13(10)19)5-4-16(2)3;1-4-7(10(15)18-2)5(9(13)14)3-6(8(4)11)12(16)17;1-11-7-5(4-10)6(8)2-3-9-7;1-6(2)4-3-5/h5-6,9H,7-8H2,1-4H3,(H,23,24);4-5,8H,6-7H2,1-3H3,(H,21,26)(H,22,23);6H,4-5,14H2,1-3H3;6H,4-5,14-15H2,1-3H3;3H,11H2,1-2H3,(H,13,14);2-4H,1H3;3-5H2,1-2H3
• InChIKey: HUCQFMDKCNEDDW-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 597.23 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 23
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1882.25
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine?

The IUPAC name of 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine (CID 158588324) is 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine.

What is the SMILES notation for 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine?

The canonical SMILES for 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine is CN(C)CCN.COC(=O)c1c(C(=O)O)cc([N+](=O)[O-])c(N)c1C.COc1nccc(Cl)c1-c1nc2c(C)c3c(cc2[nH]1)C(=O)N(CCN(C)C)C3=O.COc1nccc(Cl)c1C=O.Cc1c(N)c(N)cc2c1C(=O)N(CCN(C)C)C2=O.Cc1c(N)c([N+](=O)[O-])cc2c1C(=O)N(CCN(C)C)C2=O.Cc1c2c(cc3[nH]c(-c4c(Cl)cc[nH]c4=O)nc13)C(=O)N(CCN(C)C)C2=O.

What is the InChIKey of 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine?

The InChIKey is HUCQFMDKCNEDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3.C19H18ClN5O3.C13H16N4O4.C13H18N4O2.C10H10N2O6.C7H6ClNO2.C4H12N2/c1-10-14-11(19(27)26(20(14)28)8-7-25(2)3)9-13-16(10)24-17(23-13)15-12(21)5-6-22-18(15)29-4;1-9-13-10(18(27)25(19(13)28)7-6-24(2)3)8-12-15(9)23-16(22-12)14-11(20)4-5-21-17(14)26;1-7-10-8(6-9(11(7)14)17(20)21)12(18)16(13(10)19)5-4-15(2)3;1-7-10-8(6-9(14)11(7)15)12(18)17(13(10)19)5-4-16(2)3;1-4-7(10(15)18-2)5(9(13)14)3-6(8(4)11)12(16)17;1-11-7-5(4-10)6(8)2-3-9-7;1-6(2)4-3-5/h5-6,9H,7-8H2,1-4H3,(H,23,24);4-5,8H,6-7H2,1-3H3,(H,21,26)(H,22,23);6H,4-5,14H2,1-3H3;6H,4-5,14-15H2,1-3H3;3H,11H2,1-2H3,(H,13,14);2-4H,1H3;3-5H2,1-2H3.

What are the key properties of 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine?

5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine has a molecular weight of 1882.25 g/mol, XLogP of 7.78, 23 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[2-(dimethylamino)ethyl]-4-methyl-6-nitroisoindole-1,3-dione;4-amino-2-methoxycarbonyl-3-methyl-5-nitrobenzoic acid;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-methoxy-3-pyridinyl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[2-(dimethylamino)ethyl]-8-methyl-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[2-(dimethylamino)ethyl]-4-methylisoindole-1,3-dione;N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 158588324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).