lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide

C185H239BBrLiN36O36 — CID 161085551

IUPAClithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide
SMILESC=C(C)C(=O)NCCCN.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)OC(C)(C)C.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)c1.C=C(C)C(=O)NCCCNC(=O)C(N)CCCCNC(=O)c1cncc(-c2cccnc2)c1.CC(C)(C)OC(=O)NC(CCCCNC(=O)c1cncc(-c2cccnc2)c1)C(=O)O.CCOC(C)=O.COC(=O)C(CCCCN)NC(=O)OC(C)(C)C.COC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)OC(C)(C)C.O=C(O)c1cncc(-c2cccnc2)c1.O=C(O)c1cncc(-c2cccnc2)c1.OB(O)c1ccccc1CBr.[Li+].[OH-]
InChIInChI=1S/C35H38N8O4.C29H40N6O5.C24H32N6O3.C23H30N4O5.C22H28N4O5.C12H24N2O4.2C11H8N2O2.C7H8BBrO2.C7H14N2O.C4H8O2.Li.H2O/c1-24(2)32(44)40-14-7-15-42-35(47)31(43-34(46)30-17-28(21-39-23-30)26-9-6-12-37-19-26)10-3-4-13-41-33(45)29-16-27(20-38-22-29)25-8-5-11-36-18-25;1-20(2)25(36)32-14-9-15-34-27(38)24(35-28(39)40-29(3,4)5)11-6-7-13-33-26(37)23-16-22(18-31-19-23)21-10-8-12-30-17-21;1-17(2)22(31)28-11-6-12-30-24(33)21(25)8-3-4-10-29-23(32)20-13-19(15-27-16-20)18-7-5-9-26-14-18;1-23(2,3)32-22(30)27-19(21(29)31-4)9-5-6-11-26-20(28)18-12-17(14-25-15-18)16-8-7-10-24-13-16;1-22(2,3)31-21(30)26-18(20(28)29)8-4-5-10-25-19(27)17-11-16(13-24-14-17)15-7-6-9-23-12-15;1-12(2,3)18-11(16)14-9(10(15)17-4)7-5-6-8-13;2*14-11(15)10-4-9(6-13-7-10)8-2-1-3-12-5-8;9-5-6-3-1-2-4-7(6)8(10)11;1-6(2)7(10)9-5-3-4-8;1-3-6-4(2)5;;/h5-6,8-9,11-12,16-23,31H,1,3-4,7,10,13-15H2,2H3,(H,40,44)(H,41,45)(H,42,47)(H,43,46);8,10,12,16-19,24H,1,6-7,9,11,13-15H2,2-5H3,(H,32,36)(H,33,37)(H,34,38)(H,35,39);5,7,9,13-16,21H,1,3-4,6,8,10-12,25H2,2H3,(H,28,31)(H,29,32)(H,30,33);7-8,10,12-15,19H,5-6,9,11H2,1-4H3,(H,26,28)(H,27,30);6-7,9,11-14,18H,4-5,8,10H2,1-3H3,(H,25,27)(H,26,30)(H,28,29);9H,5-8,13H2,1-4H3,(H,14,16);2*1-7H,(H,14,15);1-4,10-11H,5H2;1,3-5,8H2,2H3,(H,9,10);3H2,1-2H3;;1H2/q;;;;;;;;;;;+1;/p-1
InChIKeyUGLPZOJLQXRARW-UHFFFAOYSA-M
MW3640.82 g/mol
LogP16.89
Rot. Bonds78

About lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide

lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide (PubChem CID 161085551) has the molecular formula C185H239BBrLiN36O36 and a molecular weight of 3640.82 g/mol. Its IUPAC name is lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide.

Molecular Properties

Compound Namelithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide
PubChem CID161085551
Molecular FormulaC185H239BBrLiN36O36
Molecular Weight3640.82 g/mol
Exact Mass3637.74
IUPAC Namelithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide
SMILESC=C(C)C(=O)NCCCN.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)OC(C)(C)C.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)c1.C=C(C)C(=O)NCCCNC(=O)C(N)CCCCNC(=O)c1cncc(-c2cccnc2)c1.CC(C)(C)OC(=O)NC(CCCCNC(=O)c1cncc(-c2cccnc2)c1)C(=O)O.CCOC(C)=O.COC(=O)C(CCCCN)NC(=O)OC(C)(C)C.COC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)OC(C)(C)C.O=C(O)c1cncc(-c2cccnc2)c1.O=C(O)c1cncc(-c2cccnc2)c1.OB(O)c1ccccc1CBr.[Li+].[OH-]
InChIInChI=1S/C35H38N8O4.C29H40N6O5.C24H32N6O3.C23H30N4O5.C22H28N4O5.C12H24N2O4.2C11H8N2O2.C7H8BBrO2.C7H14N2O.C4H8O2.Li.H2O/c1-24(2)32(44)40-14-7-15-42-35(47)31(43-34(46)30-17-28(21-39-23-30)26-9-6-12-37-19-26)10-3-4-13-41-33(45)29-16-27(20-38-22-29)25-8-5-11-36-18-25;1-20(2)25(36)32-14-9-15-34-27(38)24(35-28(39)40-29(3,4)5)11-6-7-13-33-26(37)23-16-22(18-31-19-23)21-10-8-12-30-17-21;1-17(2)22(31)28-11-6-12-30-24(33)21(25)8-3-4-10-29-23(32)20-13-19(15-27-16-20)18-7-5-9-26-14-18;1-23(2,3)32-22(30)27-19(21(29)31-4)9-5-6-11-26-20(28)18-12-17(14-25-15-18)16-8-7-10-24-13-16;1-22(2,3)31-21(30)26-18(20(28)29)8-4-5-10-25-19(27)17-11-16(13-24-14-17)15-7-6-9-23-12-15;1-12(2,3)18-11(16)14-9(10(15)17-4)7-5-6-8-13;2*14-11(15)10-4-9(6-13-7-10)8-2-1-3-12-5-8;9-5-6-3-1-2-4-7(6)8(10)11;1-6(2)7(10)9-5-3-4-8;1-3-6-4(2)5;;/h5-6,8-9,11-12,16-23,31H,1,3-4,7,10,13-15H2,2H3,(H,40,44)(H,41,45)(H,42,47)(H,43,46);8,10,12,16-19,24H,1,6-7,9,11,13-15H2,2-5H3,(H,32,36)(H,33,37)(H,34,38)(H,35,39);5,7,9,13-16,21H,1,3-4,6,8,10-12,25H2,2H3,(H,28,31)(H,29,32)(H,30,33);7-8,10,12-15,19H,5-6,9,11H2,1-4H3,(H,26,28)(H,27,30);6-7,9,11-14,18H,4-5,8,10H2,1-3H3,(H,25,27)(H,26,30)(H,28,29);9H,5-8,13H2,1-4H3,(H,14,16);2*1-7H,(H,14,15);1-4,10-11H,5H2;1,3-5,8H2,2H3,(H,9,10);3H2,1-2H3;;1H2/q;;;;;;;;;;;+1;/p-1
InChIKeyUGLPZOJLQXRARW-UHFFFAOYSA-M
XLogP16.89
TPSA1077.18 Ų
H-Bond Donors25
H-Bond Acceptors52
Rotatable Bonds78
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003640.82
LogP ≤ 516.89
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide?
The IUPAC name of lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide (CID 161085551) is lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide.
What is the SMILES notation for lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide?
The canonical SMILES for lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide is C=C(C)C(=O)NCCCN.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)OC(C)(C)C.C=C(C)C(=O)NCCCNC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)c1cncc(-c2cccnc2)c1.C=C(C)C(=O)NCCCNC(=O)C(N)CCCCNC(=O)c1cncc(-c2cccnc2)c1.CC(C)(C)OC(=O)NC(CCCCNC(=O)c1cncc(-c2cccnc2)c1)C(=O)O.CCOC(C)=O.COC(=O)C(CCCCN)NC(=O)OC(C)(C)C.COC(=O)C(CCCCNC(=O)c1cncc(-c2cccnc2)c1)NC(=O)OC(C)(C)C.O=C(O)c1cncc(-c2cccnc2)c1.O=C(O)c1cncc(-c2cccnc2)c1.OB(O)c1ccccc1CBr.[Li+].[OH-].
What is the InChIKey of lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide?
The InChIKey is UGLPZOJLQXRARW-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H38N8O4.C29H40N6O5.C24H32N6O3.C23H30N4O5.C22H28N4O5.C12H24N2O4.2C11H8N2O2.C7H8BBrO2.C7H14N2O.C4H8O2.Li.H2O/c1-24(2)32(44)40-14-7-15-42-35(47)31(43-34(46)30-17-28(21-39-23-30)26-9-6-12-37-19-26)10-3-4-13-41-33(45)29-16-27(20-38-22-29)25-8-5-11-36-18-25;1-20(2)25(36)32-14-9-15-34-27(38)24(35-28(39)40-29(3,4)5)11-6-7-13-33-26(37)23-16-22(18-31-19-23)21-10-8-12-30-17-21;1-17(2)22(31)28-11-6-12-30-24(33)21(25)8-3-4-10-29-23(32)20-13-19(15-27-16-20)18-7-5-9-26-14-18;1-23(2,3)32-22(30)27-19(21(29)31-4)9-5-6-11-26-20(28)18-12-17(14-25-15-18)16-8-7-10-24-13-16;1-22(2,3)31-21(30)26-18(20(28)29)8-4-5-10-25-19(27)17-11-16(13-24-14-17)15-7-6-9-23-12-15;1-12(2,3)18-11(16)14-9(10(15)17-4)7-5-6-8-13;2*14-11(15)10-4-9(6-13-7-10)8-2-1-3-12-5-8;9-5-6-3-1-2-4-7(6)8(10)11;1-6(2)7(10)9-5-3-4-8;1-3-6-4(2)5;;/h5-6,8-9,11-12,16-23,31H,1,3-4,7,10,13-15H2,2H3,(H,40,44)(H,41,45)(H,42,47)(H,43,46);8,10,12,16-19,24H,1,6-7,9,11,13-15H2,2-5H3,(H,32,36)(H,33,37)(H,34,38)(H,35,39);5,7,9,13-16,21H,1,3-4,6,8,10-12,25H2,2H3,(H,28,31)(H,29,32)(H,30,33);7-8,10,12-15,19H,5-6,9,11H2,1-4H3,(H,26,28)(H,27,30);6-7,9,11-14,18H,4-5,8,10H2,1-3H3,(H,25,27)(H,26,30)(H,28,29);9H,5-8,13H2,1-4H3,(H,14,16);2*1-7H,(H,14,15);1-4,10-11H,5H2;1,3-5,8H2,2H3,(H,9,10);3H2,1-2H3;;1H2/q;;;;;;;;;;;+1;/p-1.
What are the key properties of lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide?
lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide has a molecular weight of 3640.82 g/mol, XLogP of 16.89, 78 rotatable bonds, 25 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-[5-amino-6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxohexyl]-5-pyridin-3-ylpyridine-3-carboxamide;N-(3-aminopropyl)-2-methylprop-2-enamide;[2-(bromomethyl)phenyl]boronic acid;tert-butyl N-[1-[3-(2-methylprop-2-enoylamino)propylamino]-1-oxo-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexan-2-yl]carbamate;ethyl acetate;methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexanoic acid;N-[6-[3-(2-methylprop-2-enoylamino)propylamino]-6-oxo-5-[(5-pyridin-3-ylpyridine-3-carbonyl)amino]hexyl]-5-pyridin-3-ylpyridine-3-carboxamide;bis(5-pyridin-3-ylpyridine-3-carboxylic acid);hydroxide is sourced from PubChem (CID 161085551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).