1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride

C108H97B2BrCl2N28O8 — CID 172960009

IUPAC1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride
SMILESC=C.C=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)cc2)cn1.CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)nc3)cc2)cn1.Cl.Cl.N#Cc1ccc(Br)cn1.N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)nc3)cc2)cn1.OB(O)c1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)cc2)cn1.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])nc3)cc2)cn1
InChIInChI=1S/C20H20N6O2.C20H18N4.C18H16N6O2.C18H16N6.C18H10N4.C6H8B2O4.C6H3BrN2.C2H4.2ClH/c1-27-25-19(21)17-9-7-15(11-23-17)13-3-5-14(6-4-13)16-8-10-18(24-12-16)20(22)26-28-2;1-13(21)19-9-7-17(11-23-19)15-3-5-16(6-4-15)18-8-10-20(14(2)22)24-12-18;19-17(23-25)15-7-5-13(9-21-15)11-1-2-12(4-3-11)14-6-8-16(22-10-14)18(20)24-26;19-17(20)15-7-5-13(9-23-15)11-1-2-12(4-3-11)14-6-8-16(18(21)22)24-10-14;1-20-18-9-7-16(12-22-18)14-4-2-13(3-5-14)15-6-8-17(10-19)21-11-15;9-7(10)5-1-2-6(4-3-5)8(11)12;7-5-1-2-6(3-8)9-4-5;1-2;;/h3-12H,1-2H3,(H2,21,25)(H2,22,26);3-12H,1-2,21-22H2;1-10,25-26H,(H2,19,23)(H2,20,24);1-10H,(H3,19,20)(H3,21,22);2-9,11-12H;1-4,9-12H;1-2,4H;1-2H2;2*1H
InChIKeyUWUDPIUNFOTLLK-UHFFFAOYSA-N
MW2087.59 g/mol
LogP15.03
Rot. Bonds22

About 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride

1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride (PubChem CID 172960009) has the molecular formula C108H97B2BrCl2N28O8 and a molecular weight of 2087.59 g/mol. Its IUPAC name is 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride
PubChem CID172960009
Molecular FormulaC108H97B2BrCl2N28O8
Molecular Weight2087.59 g/mol
Exact Mass2084.68
IUPAC Name1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride
SMILESC=C.C=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)cc2)cn1.CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)nc3)cc2)cn1.Cl.Cl.N#Cc1ccc(Br)cn1.N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)nc3)cc2)cn1.OB(O)c1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)cc2)cn1.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])nc3)cc2)cn1
InChIInChI=1S/C20H20N6O2.C20H18N4.C18H16N6O2.C18H16N6.C18H10N4.C6H8B2O4.C6H3BrN2.C2H4.2ClH/c1-27-25-19(21)17-9-7-15(11-23-17)13-3-5-14(6-4-13)16-8-10-18(24-12-16)20(22)26-28-2;1-13(21)19-9-7-17(11-23-19)15-3-5-16(6-4-15)18-8-10-20(14(2)22)24-12-18;19-17(23-25)15-7-5-13(9-21-15)11-1-2-12(4-3-11)14-6-8-16(22-10-14)18(20)24-26;19-17(20)15-7-5-13(9-23-15)11-1-2-12(4-3-11)14-6-8-16(18(21)22)24-10-14;1-20-18-9-7-16(12-22-18)14-4-2-13(3-5-14)15-6-8-17(10-19)21-11-15;9-7(10)5-1-2-6(4-3-5)8(11)12;7-5-1-2-6(3-8)9-4-5;1-2;;/h3-12H,1-2H3,(H2,21,25)(H2,22,26);3-12H,1-2,21-22H2;1-10,25-26H,(H2,19,23)(H2,20,24);1-10H,(H3,19,20)(H3,21,22);2-9,11-12H;1-4,9-12H;1-2,4H;1-2H2;2*1H
InChIKeyUWUDPIUNFOTLLK-UHFFFAOYSA-N
XLogP15.03
TPSA638.87 Ų
H-Bond Donors16
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002087.59
LogP ≤ 515.03
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride with MolForge

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Related Compounds

(6-amino-3-pyridinyl)boronic acid;[6-(benzhydrylideneamino)-3-pyridinyl]boronic acid;5-bromopyridin-2-amine;N-(5-bromo-2-pyridinyl)-1,1-diphenylmethanimine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 157189322
2-Bromo-3-methylpyridine;1-hydroxy-3-methyl-2-(3-methylphenyl)pyridin-1-ium;5-methyl-6-(3-methylphenyl)pyridin-2-amine;3-methyl-2-(3-methylphenyl)pyridine;(3-methylphenyl)boronic acid
CID 157806613
(4-Bromophenyl)boronic acid;5-(4-bromophenyl)pyridine-2-carbonitrile;5-bromopyridine-2-carbonitrile;5-[4-(4-carbamimidoylphenyl)phenyl]pyridine-2-carboximidamide;(4-isocyanophenyl)boronic acid;5-[4-(4-isocyanophenyl)phenyl]pyridine-2-carbonitrile;dihydrochloride
CID 160753269
2-Bromo-3-methylpyridine;3-methyl-2-(3-methylphenyl)-1-oxidopyridin-1-ium;5-methyl-6-(3-methylphenyl)pyridin-2-amine;3-methyl-2-(3-methylphenyl)pyridine;(3-methylphenyl)boronic acid
CID 161043627
(4-Bromophenyl)boronic acid;6-(4-bromophenyl)pyridine-3-carbonitrile;6-bromopyridine-3-carbonitrile;6-[4-(4-carbamimidoylphenyl)phenyl]pyridine-3-carboximidamide;(4-isocyanophenyl)-methylborinic acid;6-[4-(4-isocyanophenyl)phenyl]pyridine-3-carbonitrile
CID 161082778
3-Bromo-5-chloropyridin-2-amine;5-bromo-3-(4-methylphenyl)pyrazine-2-carbonitrile;5-chloro-3-(4-methylphenyl)pyridin-2-amine;5-chloro-3-(4-methylphenyl)pyridine-2-carbonitrile;4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane
CID 161234754
(4-Bromophenyl)boronic acid;5-(4-bromophenyl)pyridine-2-carbonitrile;5-bromopyridine-2-carbonitrile;5-[4-(4-carbamimidoylphenyl)phenyl]pyridine-2-carboximidamide;(4-isocyanophenyl)-methylborinic acid;5-[4-(4-isocyanophenyl)phenyl]pyridine-2-carbonitrile
CID 161669824
2-[4-[3-(4-Bromophenyl)-1-adamantyl]phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine;(4-cyanophenyl)boronic acid;4-[4-[3-[4-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-1-adamantyl]phenyl]benzonitrile
CID 165089492
5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;N'-hydroxy-5-[6-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile;N'-methoxy-5-[6-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]-3-pyridinyl]pyridine-2-carboximidamide;dihydrochloride
CID 172932393
CID 172935259
CID 172935259
5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-hydroxypyridine-2-carboximidamide;5-[6-[4-(1-aminoethenyl)phenyl]-3-pyridinyl]-N'-methoxypyridine-2-carboximidamide;5-bromopyridine-2-carbonitrile;5-[6-(4-carbamimidoylphenyl)-3-pyridinyl]pyridine-2-carboximidamide;(6-chloro-3-pyridinyl)boronic acid;5-(6-chloro-3-pyridinyl)pyridine-2-carbonitrile;(4-cyanophenyl)boronic acid;5-[6-(4-isocyanophenyl)-3-pyridinyl]pyridine-2-carbonitrile
CID 172951825

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride?
The IUPAC name of 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride (CID 172960009) is 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride.
What is the SMILES notation for 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride?
The canonical SMILES for 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride is C=C.C=C(N)c1ccc(-c2ccc(-c3ccc(C(=C)N)nc3)cc2)cn1.CO/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/OC)nc3)cc2)cn1.Cl.Cl.N#Cc1ccc(Br)cn1.N/C(=N\O)c1ccc(-c2ccc(-c3ccc(/C(N)=N\O)nc3)cc2)cn1.OB(O)c1ccc(B(O)O)cc1.[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)nc3)cc2)cn1.[H]/N=C(\N)c1ccc(-c2ccc(-c3ccc(/C(N)=N/[H])nc3)cc2)cn1.
What is the InChIKey of 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride?
The InChIKey is UWUDPIUNFOTLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2.C20H18N4.C18H16N6O2.C18H16N6.C18H10N4.C6H8B2O4.C6H3BrN2.C2H4.2ClH/c1-27-25-19(21)17-9-7-15(11-23-17)13-3-5-14(6-4-13)16-8-10-18(24-12-16)20(22)26-28-2;1-13(21)19-9-7-17(11-23-19)15-3-5-16(6-4-15)18-8-10-20(14(2)22)24-12-18;19-17(23-25)15-7-5-13(9-21-15)11-1-2-12(4-3-11)14-6-8-16(22-10-14)18(20)24-26;19-17(20)15-7-5-13(9-23-15)11-1-2-12(4-3-11)14-6-8-16(18(21)22)24-10-14;1-20-18-9-7-16(12-22-18)14-4-2-13(3-5-14)15-6-8-17(10-19)21-11-15;9-7(10)5-1-2-6(4-3-5)8(11)12;7-5-1-2-6(3-8)9-4-5;1-2;;/h3-12H,1-2H3,(H2,21,25)(H2,22,26);3-12H,1-2,21-22H2;1-10,25-26H,(H2,19,23)(H2,20,24);1-10H,(H3,19,20)(H3,21,22);2-9,11-12H;1-4,9-12H;1-2,4H;1-2H2;2*1H.
What are the key properties of 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride?
1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride has a molecular weight of 2087.59 g/mol, XLogP of 15.03, 22 rotatable bonds, 16 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[6-(1-aminoethenyl)-3-pyridinyl]phenyl]-2-pyridinyl]ethenamine;(4-boronophenyl)boronic acid;5-bromopyridine-2-carbonitrile;5-[4-(6-carbamimidoyl-3-pyridinyl)phenyl]pyridine-2-carboximidamide;ethene;N'-hydroxy-5-[4-[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;5-[4-(6-isocyano-3-pyridinyl)phenyl]pyridine-2-carbonitrile;N'-methoxy-5-[4-[6-[(Z)-N'-methoxycarbamimidoyl]-3-pyridinyl]phenyl]pyridine-2-carboximidamide;dihydrochloride is sourced from PubChem (CID 172960009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).