lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide

C124H131BClLiN15NaO20 — CID 167553940

IUPAClithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide
SMILESCC(=O)Cc1ccccc1NC(=O)c1cc2ccncc2c(-c2cccc(CN)c2)n1.CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1.CCO.CCO.CCOC(=O)Cc1ccccc1N.CCOC(=O)c1cc2ccncc2c(-c2cccc(CC)c2)n1.CCOC(=O)c1cc2ccncc2c(Cl)n1.CCc1cccc(-c2nc(C(=O)Nc3ccccc3CC(C)=O)cc3ccncc23)c1.CCc1cccc(-c2nc(C(=O)O)cc3ccncc23)c1.[Li+].[Na+].[OH-].[OH-]
InChIInChI=1S/C26H23N3O2.C25H22N4O2.C19H18N2O2.C17H14N2O2.C12H18BNO4.C11H9ClN2O2.C10H13NO2.2C2H6O.Li.Na.2H2O/c1-3-18-7-6-9-21(14-18)25-22-16-27-12-11-19(22)15-24(28-25)26(31)29-23-10-5-4-8-20(23)13-17(2)30;1-16(30)11-19-6-2-3-8-22(19)29-25(31)23-13-18-9-10-27-15-21(18)24(28-23)20-7-4-5-17(12-20)14-26;1-3-13-6-5-7-15(10-13)18-16-12-20-9-8-14(16)11-17(21-18)19(22)23-4-2;1-2-11-4-3-5-13(8-11)16-14-10-18-7-6-12(14)9-15(19-16)17(20)21;1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17;1-2-16-11(15)9-5-7-3-4-13-6-8(7)10(12)14-9;1-2-13-10(12)7-8-5-3-4-6-9(8)11;2*1-2-3;;;;/h4-12,14-16H,3,13H2,1-2H3,(H,29,31);2-10,12-13,15H,11,14,26H2,1H3,(H,29,31);5-12H,3-4H2,1-2H3;3-10H,2H2,1H3,(H,20,21);4-7,16-17H,8H2,1-3H3,(H,14,15);3-6H,2H2,1H3;3-6H,2,7,11H2,1H3;2*3H,2H2,1H3;;;2*1H2/q;;;;;;;;;2*+1;;/p-2
InChIKeyCTLRDNKLFCIABO-UHFFFAOYSA-L
MW2227.69 g/mol
LogP14.85
Rot. Bonds27

About lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide

lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide (PubChem CID 167553940) has the molecular formula C124H131BClLiN15NaO20 and a molecular weight of 2227.69 g/mol. Its IUPAC name is lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide.

Molecular Properties

Compound Namelithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide
PubChem CID167553940
Molecular FormulaC124H131BClLiN15NaO20
Molecular Weight2227.69 g/mol
Exact Mass2225.95
IUPAC Namelithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide
SMILESCC(=O)Cc1ccccc1NC(=O)c1cc2ccncc2c(-c2cccc(CN)c2)n1.CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1.CCO.CCO.CCOC(=O)Cc1ccccc1N.CCOC(=O)c1cc2ccncc2c(-c2cccc(CC)c2)n1.CCOC(=O)c1cc2ccncc2c(Cl)n1.CCc1cccc(-c2nc(C(=O)Nc3ccccc3CC(C)=O)cc3ccncc23)c1.CCc1cccc(-c2nc(C(=O)O)cc3ccncc23)c1.[Li+].[Na+].[OH-].[OH-]
InChIInChI=1S/C26H23N3O2.C25H22N4O2.C19H18N2O2.C17H14N2O2.C12H18BNO4.C11H9ClN2O2.C10H13NO2.2C2H6O.Li.Na.2H2O/c1-3-18-7-6-9-21(14-18)25-22-16-27-12-11-19(22)15-24(28-25)26(31)29-23-10-5-4-8-20(23)13-17(2)30;1-16(30)11-19-6-2-3-8-22(19)29-25(31)23-13-18-9-10-27-15-21(18)24(28-23)20-7-4-5-17(12-20)14-26;1-3-13-6-5-7-15(10-13)18-16-12-20-9-8-14(16)11-17(21-18)19(22)23-4-2;1-2-11-4-3-5-13(8-11)16-14-10-18-7-6-12(14)9-15(19-16)17(20)21;1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17;1-2-16-11(15)9-5-7-3-4-13-6-8(7)10(12)14-9;1-2-13-10(12)7-8-5-3-4-6-9(8)11;2*1-2-3;;;;/h4-12,14-16H,3,13H2,1-2H3,(H,29,31);2-10,12-13,15H,11,14,26H2,1H3,(H,29,31);5-12H,3-4H2,1-2H3;3-10H,2H2,1H3,(H,20,21);4-7,16-17H,8H2,1-3H3,(H,14,15);3-6H,2H2,1H3;3-6H,2,7,11H2,1H3;2*3H,2H2,1H3;;;2*1H2/q;;;;;;;;;2*+1;;/p-2
InChIKeyCTLRDNKLFCIABO-UHFFFAOYSA-L
XLogP14.85
TPSA568.73 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.69
LogP ≤ 514.85
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide?
The IUPAC name of lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide (CID 167553940) is lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide.
What is the SMILES notation for lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide?
The canonical SMILES for lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide is CC(=O)Cc1ccccc1NC(=O)c1cc2ccncc2c(-c2cccc(CN)c2)n1.CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1.CCO.CCO.CCOC(=O)Cc1ccccc1N.CCOC(=O)c1cc2ccncc2c(-c2cccc(CC)c2)n1.CCOC(=O)c1cc2ccncc2c(Cl)n1.CCc1cccc(-c2nc(C(=O)Nc3ccccc3CC(C)=O)cc3ccncc23)c1.CCc1cccc(-c2nc(C(=O)O)cc3ccncc23)c1.[Li+].[Na+].[OH-].[OH-].
What is the InChIKey of lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide?
The InChIKey is CTLRDNKLFCIABO-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H23N3O2.C25H22N4O2.C19H18N2O2.C17H14N2O2.C12H18BNO4.C11H9ClN2O2.C10H13NO2.2C2H6O.Li.Na.2H2O/c1-3-18-7-6-9-21(14-18)25-22-16-27-12-11-19(22)15-24(28-25)26(31)29-23-10-5-4-8-20(23)13-17(2)30;1-16(30)11-19-6-2-3-8-22(19)29-25(31)23-13-18-9-10-27-15-21(18)24(28-23)20-7-4-5-17(12-20)14-26;1-3-13-6-5-7-15(10-13)18-16-12-20-9-8-14(16)11-17(21-18)19(22)23-4-2;1-2-11-4-3-5-13(8-11)16-14-10-18-7-6-12(14)9-15(19-16)17(20)21;1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17;1-2-16-11(15)9-5-7-3-4-13-6-8(7)10(12)14-9;1-2-13-10(12)7-8-5-3-4-6-9(8)11;2*1-2-3;;;;/h4-12,14-16H,3,13H2,1-2H3,(H,29,31);2-10,12-13,15H,11,14,26H2,1H3,(H,29,31);5-12H,3-4H2,1-2H3;3-10H,2H2,1H3,(H,20,21);4-7,16-17H,8H2,1-3H3,(H,14,15);3-6H,2H2,1H3;3-6H,2,7,11H2,1H3;2*3H,2H2,1H3;;;2*1H2/q;;;;;;;;;2*+1;;/p-2.
What are the key properties of lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide?
lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide has a molecular weight of 2227.69 g/mol, XLogP of 14.85, 27 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;1-[3-(aminomethyl)phenyl]-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;ethanol;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;1-(3-ethylphenyl)-N-[2-(2-oxopropyl)phenyl]-2,7-naphthyridine-3-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;dihydroxide is sourced from PubChem (CID 167553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).