1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine

C188H245N36O13Pt6- — CID 159998847

IUPAC1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine
SMILESCC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(N(C)C)c(N(C)C)c2)c1.CN(C)c1ccnc(-c2[c-]ccc(N(C)C)c2N(C)C)c1.CNCc1[c-]c(-c2cc(N(C)C)ccn2)c(N(C)C)cc1.CNCc1ccnc(-c2[c-]c(N(C)C)c(N(C)C)cc2)c1.CNCc1ccnc(-c2[c-]c(N(C)C)ccc2CNC)c1.CNCc1ccnc(-c2[c-]c(OC)c(OC)cc2CO)c1.CNCc1ccnc(-c2[c-]cc(N(C)C)c(CNC)c2)c1.CNCc1ccnc(-c2[c-]cc(OC)c(CO)c2CO)c1.CNCc1ccnc(-c2[c-]ccc(CNC)c2CNC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(C)c1OC.COc1cc(OC)c(-c2cc(N(C)C)ccn2)[c-]c1CO.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/7C17H23N4.3C16H19N2O3.C16H19N2O2.C5H8O2.6Pt/c1-19(2)14-9-10-18-15(12-14)13-7-8-16(20(3)4)17(11-13)21(5)6;1-19(2)13-10-11-18-15(12-13)14-8-7-9-16(20(3)4)17(14)21(5)6;1-18-12-13-8-9-19-15(10-13)14-6-7-16(20(2)3)17(11-14)21(4)5;1-18-12-13-6-7-17(21(4)5)15(10-13)16-11-14(20(2)3)8-9-19-16;1-18-11-13-7-8-20-17(9-13)16-10-15(21(3)4)6-5-14(16)12-19-2;1-18-11-13-7-8-20-16(9-13)14-5-6-17(21(3)4)15(10-14)12-19-2;1-18-10-13-7-8-21-17(9-13)15-6-4-5-14(11-19-2)16(15)12-20-3;1-18(2)12-5-6-17-14(8-12)13-7-11(10-19)15(20-3)9-16(13)21-4;1-17-9-11-4-5-18-14(6-11)13-8-16(21-3)15(20-2)7-12(13)10-19;1-17-8-11-5-6-18-15(7-11)12-3-4-16(21-2)14(10-20)13(12)9-19;1-11-13(6-7-15(19-4)16(11)20-5)14-10-12(18(2)3)8-9-17-14;1-4(6)3-5(2)7;;;;;;/h8-12H,1-6H3;7,9-12H,1-6H3;6-10,18H,12H2,1-5H3;6-9,11,18H,12H2,1-5H3;5-9,18-19H,11-12H2,1-4H3;6-10,18-19H,11-12H2,1-4H3;4-5,7-9,18-20H,10-12H2,1-3H3;5-6,8-9,19H,10H2,1-4H3;4-7,17,19H,9-10H2,1-3H3;4-7,17,19-20H,8-10H2,1-2H3;7-10H,1-5H3;3,6H,1-2H3;;;;;;/q11*-1;;;5*+2
InChIKeyGSBPTTHTPDDXLM-UHFFFAOYSA-N
MW4387.73 g/mol
LogP25.23
Rot. Bonds59

About 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine

1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine (PubChem CID 159998847) has the molecular formula C188H245N36O13Pt6- and a molecular weight of 4387.73 g/mol. Its IUPAC name is 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine.

Molecular Properties

Compound Name1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine
PubChem CID159998847
Molecular FormulaC188H245N36O13Pt6-
Molecular Weight4387.73 g/mol
Exact Mass4384.75
IUPAC Name1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine
SMILESCC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(N(C)C)c(N(C)C)c2)c1.CN(C)c1ccnc(-c2[c-]ccc(N(C)C)c2N(C)C)c1.CNCc1[c-]c(-c2cc(N(C)C)ccn2)c(N(C)C)cc1.CNCc1ccnc(-c2[c-]c(N(C)C)c(N(C)C)cc2)c1.CNCc1ccnc(-c2[c-]c(N(C)C)ccc2CNC)c1.CNCc1ccnc(-c2[c-]c(OC)c(OC)cc2CO)c1.CNCc1ccnc(-c2[c-]cc(N(C)C)c(CNC)c2)c1.CNCc1ccnc(-c2[c-]cc(OC)c(CO)c2CO)c1.CNCc1ccnc(-c2[c-]ccc(CNC)c2CNC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(C)c1OC.COc1cc(OC)c(-c2cc(N(C)C)ccn2)[c-]c1CO.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
InChIInChI=1S/7C17H23N4.3C16H19N2O3.C16H19N2O2.C5H8O2.6Pt/c1-19(2)14-9-10-18-15(12-14)13-7-8-16(20(3)4)17(11-13)21(5)6;1-19(2)13-10-11-18-15(12-13)14-8-7-9-16(20(3)4)17(14)21(5)6;1-18-12-13-8-9-19-15(10-13)14-6-7-16(20(2)3)17(11-14)21(4)5;1-18-12-13-6-7-17(21(4)5)15(10-13)16-11-14(20(2)3)8-9-19-16;1-18-11-13-7-8-20-17(9-13)16-10-15(21(3)4)6-5-14(16)12-19-2;1-18-11-13-7-8-20-16(9-13)14-5-6-17(21(3)4)15(10-14)12-19-2;1-18-10-13-7-8-21-17(9-13)15-6-4-5-14(11-19-2)16(15)12-20-3;1-18(2)12-5-6-17-14(8-12)13-7-11(10-19)15(20-3)9-16(13)21-4;1-17-9-11-4-5-18-14(6-11)13-8-16(21-3)15(20-2)7-12(13)10-19;1-17-8-11-5-6-18-15(7-11)12-3-4-16(21-2)14(10-20)13(12)9-19;1-11-13(6-7-15(19-4)16(11)20-5)14-10-12(18(2)3)8-9-17-14;1-4(6)3-5(2)7;;;;;;/h8-12H,1-6H3;7,9-12H,1-6H3;6-10,18H,12H2,1-5H3;6-9,11,18H,12H2,1-5H3;5-9,18-19H,11-12H2,1-4H3;6-10,18-19H,11-12H2,1-4H3;4-5,7-9,18-20H,10-12H2,1-3H3;5-6,8-9,19H,10H2,1-4H3;4-7,17,19H,9-10H2,1-3H3;4-7,17,19-20H,8-10H2,1-2H3;7-10H,1-5H3;3,6H,1-2H3;;;;;;/q11*-1;;;5*+2
InChIKeyGSBPTTHTPDDXLM-UHFFFAOYSA-N
XLogP25.23
TPSA502.31 Ų
H-Bond Donors16
H-Bond Acceptors49
Rotatable Bonds59
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004387.73
LogP ≤ 525.23
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine?
The IUPAC name of 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine (CID 159998847) is 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine.
What is the SMILES notation for 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine?
The canonical SMILES for 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine is CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(N(C)C)c(N(C)C)c2)c1.CN(C)c1ccnc(-c2[c-]ccc(N(C)C)c2N(C)C)c1.CNCc1[c-]c(-c2cc(N(C)C)ccn2)c(N(C)C)cc1.CNCc1ccnc(-c2[c-]c(N(C)C)c(N(C)C)cc2)c1.CNCc1ccnc(-c2[c-]c(N(C)C)ccc2CNC)c1.CNCc1ccnc(-c2[c-]c(OC)c(OC)cc2CO)c1.CNCc1ccnc(-c2[c-]cc(N(C)C)c(CNC)c2)c1.CNCc1ccnc(-c2[c-]cc(OC)c(CO)c2CO)c1.CNCc1ccnc(-c2[c-]ccc(CNC)c2CNC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(C)c1OC.COc1cc(OC)c(-c2cc(N(C)C)ccn2)[c-]c1CO.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].
What is the InChIKey of 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine?
The InChIKey is GSBPTTHTPDDXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/7C17H23N4.3C16H19N2O3.C16H19N2O2.C5H8O2.6Pt/c1-19(2)14-9-10-18-15(12-14)13-7-8-16(20(3)4)17(11-13)21(5)6;1-19(2)13-10-11-18-15(12-13)14-8-7-9-16(20(3)4)17(14)21(5)6;1-18-12-13-8-9-19-15(10-13)14-6-7-16(20(2)3)17(11-14)21(4)5;1-18-12-13-6-7-17(21(4)5)15(10-13)16-11-14(20(2)3)8-9-19-16;1-18-11-13-7-8-20-17(9-13)16-10-15(21(3)4)6-5-14(16)12-19-2;1-18-11-13-7-8-20-16(9-13)14-5-6-17(21(3)4)15(10-14)12-19-2;1-18-10-13-7-8-21-17(9-13)15-6-4-5-14(11-19-2)16(15)12-20-3;1-18(2)12-5-6-17-14(8-12)13-7-11(10-19)15(20-3)9-16(13)21-4;1-17-9-11-4-5-18-14(6-11)13-8-16(21-3)15(20-2)7-12(13)10-19;1-17-8-11-5-6-18-15(7-11)12-3-4-16(21-2)14(10-20)13(12)9-19;1-11-13(6-7-15(19-4)16(11)20-5)14-10-12(18(2)3)8-9-17-14;1-4(6)3-5(2)7;;;;;;/h8-12H,1-6H3;7,9-12H,1-6H3;6-10,18H,12H2,1-5H3;6-9,11,18H,12H2,1-5H3;5-9,18-19H,11-12H2,1-4H3;6-10,18-19H,11-12H2,1-4H3;4-5,7-9,18-20H,10-12H2,1-3H3;5-6,8-9,19H,10H2,1-4H3;4-7,17,19H,9-10H2,1-3H3;4-7,17,19-20H,8-10H2,1-2H3;7-10H,1-5H3;3,6H,1-2H3;;;;;;/q11*-1;;;5*+2.
What are the key properties of 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine?
1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine has a molecular weight of 4387.73 g/mol, XLogP of 25.23, 59 rotatable bonds, 16 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,3-bis(methylaminomethyl)benzene-6-id-1-yl]-4-pyridinyl]-N-methylmethanamine;[4,5-dimethoxy-2-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-id-1-yl]methanol;2-(3,4-dimethoxy-2-methylbenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-[2-(dimethylamino)-5-(methylaminomethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;[5-[4-(dimethylamino)-2-pyridinyl]-2,4-dimethoxybenzene-6-id-1-yl]methanol;3-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-4-ide-1,2-diamine;4-[4-(dimethylamino)-2-pyridinyl]-1-N,1-N,2-N,2-N-tetramethylbenzene-5-ide-1,2-diamine;N,N-dimethyl-2-(methylaminomethyl)-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-5-id-1-amine;N,N-dimethyl-4-(methylaminomethyl)-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-2-id-1-amine;[2-(hydroxymethyl)-6-methoxy-3-[4-(methylaminomethyl)-2-pyridinyl]benzene-4-id-1-yl]methanol;4-hydroxypent-3-en-2-one;platinum;pentakis(platinum(2+));1-N,1-N,2-N,2-N-tetramethyl-4-[4-(methylaminomethyl)-2-pyridinyl]benzene-3-ide-1,2-diamine is sourced from PubChem (CID 159998847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).