10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide

C259H346ClI3N43O15+7 — CID 158533155

IUPAC10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide
SMILESCCCCC.CCCNCCN(C(=O)c1cncc(C(=O)NCCCCCNC(=O)CCCCC[n+]2c3cc(N(C)C)ccc3cc3ccc(N(C)C)cc32)c1)C(=O)[n+]1c2cc(CNC)ccc2cc2ccc(CNC)cc21.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCI)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCN)c2c1.CNCc1ccc2cc3ccc(CNC)cc3[n+](CCCCCC(=O)NCCCC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.CNCc1ccc2cc3ccc(CNC)cc3[n+](CCCCCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.CNCc1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)NCCCCCN)c2c1.CNCc1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)ON3C(=O)CCC3=O)c2c1.O=C(O)c1cccnc1.O=C=O.[Cl-].[I-].[I-]
InChIInChI=1S/C58H73N11O4.C49H64N7O2.C43H57N7.C28H41N5O.C27H33N4O4.C22H32N5.C20H25IN3.C6H5NO2.C5H12.CO2.ClH.2HI/c1-8-24-61-27-29-68(58(73)69-53-30-41(37-59-2)16-18-45(53)33-46-19-17-42(38-60-3)31-54(46)69)57(72)48-34-47(39-62-40-48)56(71)64-26-13-10-12-25-63-55(70)15-11-9-14-28-67-51-35-49(65(4)5)22-20-43(51)32-44-21-23-50(66(6)7)36-52(44)67;1-50-34-36-17-19-38-30-39-20-18-37(35-51-2)29-46(39)55(45(38)28-36)26-12-8-10-16-49(58)52-25-13-15-44(57)14-9-7-11-27-56-47-32-42(53(3)4)23-21-40(47)31-41-22-24-43(54(5)6)33-48(41)56;1-44-30-32-12-14-34-26-35-15-13-33(31-45-2)25-41(35)49(40(34)24-32)22-10-8-7-9-20-46-21-11-23-50-42-28-38(47(3)4)18-16-36(42)27-37-17-19-39(48(5)6)29-43(37)50;1-30-21-22-11-12-23-19-24-13-14-25(32(2)3)20-27(24)33(26(23)18-22)17-9-4-6-10-28(34)31-16-8-5-7-15-29;1-28-18-19-8-9-20-16-21-10-11-22(29(2)3)17-24(21)30(23(20)15-19)14-6-4-5-7-27(34)35-31-25(32)12-13-26(31)33;1-25(2)19-8-6-17-14-18-7-9-20(26(3)4)16-22(18)27(21(17)15-19)13-5-11-24-12-10-23;1-22(2)17-8-6-15-12-16-7-9-18(23(3)4)14-20(16)24(11-5-10-21)19(15)13-17;8-6(9)5-2-1-3-7-4-5;1-3-5-4-2;2-1-3;;;/h16-23,30-36,39-40,59-61H,8-15,24-29,37-38H2,1-7H3;17-24,28-33,50-51H,7-16,25-27,34-35H2,1-6H3;12-19,24-29,44-46H,7-11,20-23,30-31H2,1-6H3;11-14,18-20,30H,4-10,15-17,21,29H2,1-3H3;8-11,15-17,28H,4-7,12-14,18H2,1-3H3;6-9,14-16,24H,5,10-13,23H2,1-4H3;6-9,12-14H,5,10-11H2,1-4H3;1-4H,(H,8,9);3-5H2,1-2H3;;3*1H/q;+1;+2;;3*+1;;;;;;/p+1
InChIKeySHKCEUFAIAIDIH-UHFFFAOYSA-O
MW4718.07 g/mol
LogP28.74
Rot. Bonds104

About 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide

10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide (PubChem CID 158533155) has the molecular formula C259H346ClI3N43O15+7 and a molecular weight of 4718.07 g/mol. Its IUPAC name is 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide.

Molecular Properties

Compound Name10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide
PubChem CID158533155
Molecular FormulaC259H346ClI3N43O15+7
Molecular Weight4718.07 g/mol
Exact Mass4714.44
IUPAC Name10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide
SMILESCCCCC.CCCNCCN(C(=O)c1cncc(C(=O)NCCCCCNC(=O)CCCCC[n+]2c3cc(N(C)C)ccc3cc3ccc(N(C)C)cc32)c1)C(=O)[n+]1c2cc(CNC)ccc2cc2ccc(CNC)cc21.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCI)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCN)c2c1.CNCc1ccc2cc3ccc(CNC)cc3[n+](CCCCCC(=O)NCCCC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.CNCc1ccc2cc3ccc(CNC)cc3[n+](CCCCCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.CNCc1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)NCCCCCN)c2c1.CNCc1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)ON3C(=O)CCC3=O)c2c1.O=C(O)c1cccnc1.O=C=O.[Cl-].[I-].[I-]
InChIInChI=1S/C58H73N11O4.C49H64N7O2.C43H57N7.C28H41N5O.C27H33N4O4.C22H32N5.C20H25IN3.C6H5NO2.C5H12.CO2.ClH.2HI/c1-8-24-61-27-29-68(58(73)69-53-30-41(37-59-2)16-18-45(53)33-46-19-17-42(38-60-3)31-54(46)69)57(72)48-34-47(39-62-40-48)56(71)64-26-13-10-12-25-63-55(70)15-11-9-14-28-67-51-35-49(65(4)5)22-20-43(51)32-44-21-23-50(66(6)7)36-52(44)67;1-50-34-36-17-19-38-30-39-20-18-37(35-51-2)29-46(39)55(45(38)28-36)26-12-8-10-16-49(58)52-25-13-15-44(57)14-9-7-11-27-56-47-32-42(53(3)4)23-21-40(47)31-41-22-24-43(54(5)6)33-48(41)56;1-44-30-32-12-14-34-26-35-15-13-33(31-45-2)25-41(35)49(40(34)24-32)22-10-8-7-9-20-46-21-11-23-50-42-28-38(47(3)4)18-16-36(42)27-37-17-19-39(48(5)6)29-43(37)50;1-30-21-22-11-12-23-19-24-13-14-25(32(2)3)20-27(24)33(26(23)18-22)17-9-4-6-10-28(34)31-16-8-5-7-15-29;1-28-18-19-8-9-20-16-21-10-11-22(29(2)3)17-24(21)30(23(20)15-19)14-6-4-5-7-27(34)35-31-25(32)12-13-26(31)33;1-25(2)19-8-6-17-14-18-7-9-20(26(3)4)16-22(18)27(21(17)15-19)13-5-11-24-12-10-23;1-22(2)17-8-6-15-12-16-7-9-18(23(3)4)14-20(16)24(11-5-10-21)19(15)13-17;8-6(9)5-2-1-3-7-4-5;1-3-5-4-2;2-1-3;;;/h16-23,30-36,39-40,59-61H,8-15,24-29,37-38H2,1-7H3;17-24,28-33,50-51H,7-16,25-27,34-35H2,1-6H3;12-19,24-29,44-46H,7-11,20-23,30-31H2,1-6H3;11-14,18-20,30H,4-10,15-17,21,29H2,1-3H3;8-11,15-17,28H,4-7,12-14,18H2,1-3H3;6-9,14-16,24H,5,10-13,23H2,1-4H3;6-9,12-14H,5,10-11H2,1-4H3;1-4H,(H,8,9);3-5H2,1-2H3;;3*1H/q;+1;+2;;3*+1;;;;;;/p+1
InChIKeySHKCEUFAIAIDIH-UHFFFAOYSA-O
XLogP28.74
TPSA593.80 Ų
H-Bond Donors18
H-Bond Acceptors41
Rotatable Bonds104
Heavy Atoms321
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004718.07
LogP ≤ 528.74
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1041

Analyze 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide with MolForge

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Related Compounds

2-(2-Amino-5-pyridin-4-ylphenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;tert-butyl 4-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-4-ylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid
CID 158065962
10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;5-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-3-N-[5-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanoylamino]pentyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;tert-butyl acetate;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methane;pyridine-3-carboxylic acid;chloride;diiodide
CID 159083839
10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanamide;3-N,5-N-bis[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]pyridine-3,5-dicarboxamide;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]hexanamide;10-[6-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]hexyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;(2,5-dioxopyrrolidin-1-yl) 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methane;5-methylpyridine-3-carboxylic acid;chloride;diiodide
CID 161523940
N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[5-[2-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanoylamino]pentyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;pyridine-3-carboxylic acid;chloride
CID 161528404
N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;5-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-3-N-[5-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanoylamino]pentyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;tert-butyl N-[2-(propylamino)ethyl]carbamate;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;3-methylpyridine;chloride
CID 161866252

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide?
The IUPAC name of 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide (CID 158533155) is 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide.
What is the SMILES notation for 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide?
The canonical SMILES for 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide is CCCCC.CCCNCCN(C(=O)c1cncc(C(=O)NCCCCCNC(=O)CCCCC[n+]2c3cc(N(C)C)ccc3cc3ccc(N(C)C)cc32)c1)C(=O)[n+]1c2cc(CNC)ccc2cc2ccc(CNC)cc21.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCI)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCNCCN)c2c1.CNCc1ccc2cc3ccc(CNC)cc3[n+](CCCCCC(=O)NCCCC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.CNCc1ccc2cc3ccc(CNC)cc3[n+](CCCCCCNCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)c2c1.CNCc1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)NCCCCCN)c2c1.CNCc1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)ON3C(=O)CCC3=O)c2c1.O=C(O)c1cccnc1.O=C=O.[Cl-].[I-].[I-].
What is the InChIKey of 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide?
The InChIKey is SHKCEUFAIAIDIH-UHFFFAOYSA-O. The full InChI is InChI=1S/C58H73N11O4.C49H64N7O2.C43H57N7.C28H41N5O.C27H33N4O4.C22H32N5.C20H25IN3.C6H5NO2.C5H12.CO2.ClH.2HI/c1-8-24-61-27-29-68(58(73)69-53-30-41(37-59-2)16-18-45(53)33-46-19-17-42(38-60-3)31-54(46)69)57(72)48-34-47(39-62-40-48)56(71)64-26-13-10-12-25-63-55(70)15-11-9-14-28-67-51-35-49(65(4)5)22-20-43(51)32-44-21-23-50(66(6)7)36-52(44)67;1-50-34-36-17-19-38-30-39-20-18-37(35-51-2)29-46(39)55(45(38)28-36)26-12-8-10-16-49(58)52-25-13-15-44(57)14-9-7-11-27-56-47-32-42(53(3)4)23-21-40(47)31-41-22-24-43(54(5)6)33-48(41)56;1-44-30-32-12-14-34-26-35-15-13-33(31-45-2)25-41(35)49(40(34)24-32)22-10-8-7-9-20-46-21-11-23-50-42-28-38(47(3)4)18-16-36(42)27-37-17-19-39(48(5)6)29-43(37)50;1-30-21-22-11-12-23-19-24-13-14-25(32(2)3)20-27(24)33(26(23)18-22)17-9-4-6-10-28(34)31-16-8-5-7-15-29;1-28-18-19-8-9-20-16-21-10-11-22(29(2)3)17-24(21)30(23(20)15-19)14-6-4-5-7-27(34)35-31-25(32)12-13-26(31)33;1-25(2)19-8-6-17-14-18-7-9-20(26(3)4)16-22(18)27(21(17)15-19)13-5-11-24-12-10-23;1-22(2)17-8-6-15-12-16-7-9-18(23(3)4)14-20(16)24(11-5-10-21)19(15)13-17;8-6(9)5-2-1-3-7-4-5;1-3-5-4-2;2-1-3;;;/h16-23,30-36,39-40,59-61H,8-15,24-29,37-38H2,1-7H3;17-24,28-33,50-51H,7-16,25-27,34-35H2,1-6H3;12-19,24-29,44-46H,7-11,20-23,30-31H2,1-6H3;11-14,18-20,30H,4-10,15-17,21,29H2,1-3H3;8-11,15-17,28H,4-7,12-14,18H2,1-3H3;6-9,14-16,24H,5,10-13,23H2,1-4H3;6-9,12-14H,5,10-11H2,1-4H3;1-4H,(H,8,9);3-5H2,1-2H3;;3*1H/q;+1;+2;;3*+1;;;;;;/p+1.
What are the key properties of 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide?
10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide has a molecular weight of 4718.07 g/mol, XLogP of 28.74, 104 rotatable bonds, 18 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;N-(5-aminopentyl)-6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;3-N-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentyl]-5-N-[3,6-bis(methylaminomethyl)acridin-10-ium-10-carbonyl]-5-N-[2-(propylamino)ethyl]pyridine-3,5-dicarboxamide;N-[9-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-4-oxononyl]-6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexanamide;10-[3-[6-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]hexylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;carbon dioxide;(2,5-dioxopyrrolidin-1-yl) 6-[3-(dimethylamino)-6-(methylaminomethyl)acridin-10-ium-10-yl]hexanoate;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;pentane;pyridine-3-carboxylic acid;chloride;diiodide is sourced from PubChem (CID 158533155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).