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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine

C101H118Cl2IN23O17 — CID 162157267

IUPAC5-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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine
SMILESCC(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)c2cc3c(cc2C1=O)N=C(c1c(Cl)cc[nH]c1=O)C3)N(C)C.CN.CNc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(C(C)C(C)N(C)C)C3=O.COc1nccc(Cl)c1C=O.COc1nccc(I)c1C1=Nc2cc3c(cc2C1)C(=O)N(C(C)C(C)N(C)C)C3=O
InChIInChI=1S/C22H23IN4O3.C22H25N5O3.C21H21ClN4O3.C14H18N4O4.C14H20N4O2.C7H6ClNO2.CH5N/c1-11(26(3)4)12(2)27-21(28)14-8-13-9-18(25-17(13)10-15(14)22(27)29)19-16(23)6-7-24-20(19)30-5;1-11(26(4)5)12(2)27-21(29)14-8-13-9-18(25-17(13)10-15(14)22(27)30)19-16(23-3)6-7-24-20(19)28;1-10(25(3)4)11(2)26-20(28)13-7-12-8-17(18-15(22)5-6-23-19(18)27)24-16(12)9-14(13)21(26)29;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/h6-8,10-12H,9H2,1-5H3;6-8,10-12H,9H2,1-5H3,(H2,23,24,28);5-7,9-11H,8H2,1-4H3,(H,23,27);5-8H,15H2,1-4H3;5-8H,15-16H2,1-4H3;2-4H,1H3;2H2,1H3
InChIKeyZLZOAHGXAFDULU-UHFFFAOYSA-N
MW2124.01 g/mol
LogP11.00
Rot. Bonds23

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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine (PubChem CID 162157267) has the molecular formula C101H118Cl2IN23O17 and a molecular weight of 2124.01 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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine.

Molecular Properties

Compound Name5-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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine
PubChem CID162157267
Molecular FormulaC101H118Cl2IN23O17
Molecular Weight2124.01 g/mol
Exact Mass2121.75
IUPAC Name5-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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine
SMILESCC(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)c2cc3c(cc2C1=O)N=C(c1c(Cl)cc[nH]c1=O)C3)N(C)C.CN.CNc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(C(C)C(C)N(C)C)C3=O.COc1nccc(Cl)c1C=O.COc1nccc(I)c1C1=Nc2cc3c(cc2C1)C(=O)N(C(C)C(C)N(C)C)C3=O
InChIInChI=1S/C22H23IN4O3.C22H25N5O3.C21H21ClN4O3.C14H18N4O4.C14H20N4O2.C7H6ClNO2.CH5N/c1-11(26(3)4)12(2)27-21(28)14-8-13-9-18(25-17(13)10-15(14)22(27)29)19-16(23)6-7-24-20(19)30-5;1-11(26(4)5)12(2)27-21(29)14-8-13-9-18(25-17(13)10-15(14)22(27)30)19-16(23-3)6-7-24-20(19)28;1-10(25(3)4)11(2)26-20(28)13-7-12-8-17(18-15(22)5-6-23-19(18)27)24-16(12)9-14(13)21(26)29;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/h6-8,10-12H,9H2,1-5H3;6-8,10-12H,9H2,1-5H3,(H2,23,24,28);5-7,9-11H,8H2,1-4H3,(H,23,27);5-8H,15H2,1-4H3;5-8H,15-16H2,1-4H3;2-4H,1H3;2H2,1H3
InChIKeyZLZOAHGXAFDULU-UHFFFAOYSA-N
XLogP11.00
TPSA526.46 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002124.01
LogP ≤ 511.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

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'}

Analyze 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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine with MolForge

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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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine (CID 162157267) 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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-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)c2cc3c(cc2C1=O)N=C(c1c(Cl)cc[nH]c1=O)C3)N(C)C.CN.CNc1cc[nH]c(=O)c1C1=Nc2cc3c(cc2C1)C(=O)N(C(C)C(C)N(C)C)C3=O.COc1nccc(Cl)c1C=O.COc1nccc(I)c1C1=Nc2cc3c(cc2C1)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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine?
The InChIKey is ZLZOAHGXAFDULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23IN4O3.C22H25N5O3.C21H21ClN4O3.C14H18N4O4.C14H20N4O2.C7H6ClNO2.CH5N/c1-11(26(3)4)12(2)27-21(28)14-8-13-9-18(25-17(13)10-15(14)22(27)29)19-16(23)6-7-24-20(19)30-5;1-11(26(4)5)12(2)27-21(29)14-8-13-9-18(25-17(13)10-15(14)22(27)30)19-16(23-3)6-7-24-20(19)28;1-10(25(3)4)11(2)26-20(28)13-7-12-8-17(18-15(22)5-6-23-19(18)27)24-16(12)9-14(13)21(26)29;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/h6-8,10-12H,9H2,1-5H3;6-8,10-12H,9H2,1-5H3,(H2,23,24,28);5-7,9-11H,8H2,1-4H3,(H,23,27);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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine has a molecular weight of 2124.01 g/mol, XLogP of 11.00, 23 rotatable bonds, 7 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]indole-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]indole-5,7-dione;6-[3-(dimethylamino)butan-2-yl]-2-[4-(methylamino)-2-oxo-1H-pyridin-3-yl]-3H-pyrrolo[3,4-f]indole-5,7-dione;methanamine is sourced from PubChem (CID 162157267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).