5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine

C98H115Cl2IN26O17 — CID 158968303

About 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine

5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine (PubChem CID 158968303) has the molecular formula C98H115Cl2IN26O17 and a molecular weight of 2126.97 g/mol. Its IUPAC name is 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine.

Molecular Properties

• Compound Name: 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine
• PubChem CID: 158968303
• Molecular Formula: C98H115Cl2IN26O17
• Molecular Weight: 2126.97 g/mol
• Exact Mass: 2124.74
• IUPAC Name: 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine
• SMILES: CC(C(C)N1C(=O)c2cc(N)c(N)cc2C1=O)N(C)C.CC(C(C)N1C(=O)c2cc(N)c([N+](=O)[O-])cc2C1=O)N(C)C.CC(C(C)N1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C1=O)N(C)C.CN.CNc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C(C)C(C)N(C)C)C3=O.COc1nccc(Cl)c1C=O.COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C(C)C(C)N(C)C)C3=O
• InChI: InChI=1S/C21H22IN5O3.C21H24N6O3.C20H20ClN5O3.C14H18N4O4.C14H20N4O2.C7H6ClNO2.CH5N/c1-10(26(3)4)11(2)27-20(28)12-8-15-16(9-13(12)21(27)29)25-18(24-15)17-14(22)6-7-23-19(17)30-5;1-10(26(4)5)11(2)27-20(29)12-8-15-16(9-13(12)21(27)30)25-18(24-15)17-14(22-3)6-7-23-19(17)28;1-9(25(3)4)10(2)26-19(28)11-7-14-15(8-12(11)20(26)29)24-17(23-14)16-13(21)5-6-22-18(16)27;1-7(16(3)4)8(2)17-13(19)9-5-11(15)12(18(21)22)6-10(9)14(17)20;1-7(17(3)4)8(2)18-13(19)9-5-11(15)12(16)6-10(9)14(18)20;1-11-7-5(4-10)6(8)2-3-9-7;1-2/h6-11H,1-5H3,(H,24,25);6-11H,1-5H3,(H,24,25)(H2,22,23,28);5-10H,1-4H3,(H,22,27)(H,23,24);5-8H,15H2,1-4H3;5-8H,15-16H2,1-4H3;2-4H,1H3;2H2,1H3
• InChIKey: JNMIGDOOHJRJGX-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 575.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.97
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine?

The IUPAC name of 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine (CID 158968303) is 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine.

What is the SMILES notation for 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine?

The canonical SMILES for 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine is CC(C(C)N1C(=O)c2cc(N)c(N)cc2C1=O)N(C)C.CC(C(C)N1C(=O)c2cc(N)c([N+](=O)[O-])cc2C1=O)N(C)C.CC(C(C)N1C(=O)c2cc3nc(-c4c(Cl)cc[nH]c4=O)[nH]c3cc2C1=O)N(C)C.CN.CNc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C(C)C(C)N(C)C)C3=O.COc1nccc(Cl)c1C=O.COc1nccc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)N(C(C)C(C)N(C)C)C3=O.

What is the InChIKey of 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine?

The InChIKey is JNMIGDOOHJRJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22IN5O3.C21H24N6O3.C20H20ClN5O3.C14H18N4O4.C14H20N4O2.C7H6ClNO2.CH5N/c1-10(26(3)4)11(2)27-20(28)12-8-15-16(9-13(12)21(27)29)25-18(24-15)17-14(22)6-7-23-19(17)30-5;1-10(26(4)5)11(2)27-20(29)12-8-15-16(9-13(12)21(27)30)25-18(24-15)17-14(22-3)6-7-23-19(17)28;1-9(25(3)4)10(2)26-19(28)11-7-14-15(8-12(11)20(26)29)24-17(23-14)16-13(21)5-6-22-18(16)27;1-7(16(3)4)8(2)17-13(19)9-5-11(15)12(18(21)22)6-10(9)14(17)20;1-7(17(3)4)8(2)18-13(19)9-5-11(15)12(16)6-10(9)14(18)20;1-11-7-5(4-10)6(8)2-3-9-7;1-2/h6-11H,1-5H3,(H,24,25);6-11H,1-5H3,(H,24,25)(H2,22,23,28);5-10H,1-4H3,(H,22,27)(H,23,24);5-8H,15H2,1-4H3;5-8H,15-16H2,1-4H3;2-4H,1H3;2H2,1H3.

What are the key properties of 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine?

5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine has a molecular weight of 2126.97 g/mol, XLogP of 10.60, 23 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[3-(dimethylamino)butan-2-yl]-6-nitroisoindole-1,3-dione;4-chloro-2-methoxypyridine-3-carbaldehyde;2-(4-chloro-2-oxo-1H-pyridin-3-yl)-6-[3-(dimethylamino)butan-2-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;5,6-diamino-2-[3-(dimethylamino)butan-2-yl]isoindole-1,3-dione;6-[3-(dimethylamino)butan-2-yl]-2-(4-iodo-2-methoxy-3-pyridinyl)-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]benzimidazole-5,7-dione;methanamine is sourced from PubChem (CID 158968303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).