lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide

C150H152BClF3LiN19NaO24 — CID 158828482

About lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide

lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide (PubChem CID 158828482) has the molecular formula C150H152BClF3LiN19NaO24 and a molecular weight of 2738.16 g/mol. Its IUPAC name is lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide.

Molecular Properties

• Compound Name: lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide
• PubChem CID: 158828482
• Molecular Formula: C150H152BClF3LiN19NaO24
• Molecular Weight: 2738.16 g/mol
• Exact Mass: 2736.10
• IUPAC Name: lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide
• SMILES: C.C.CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1.CCOC(=O)Cc1ccccc1N.CCOC(=O)Cc1ccccc1NC(=O)c1cc2ccncc2c(-c2cccc(CC)c2)n1.CCOC(=O)Cc1ccccc1NC(=O)c1cc2ccncc2c(-c2cccc(CN)c2)n1.CCOC(=O)c1cc2ccncc2c(-c2cccc(CC)c2)n1.CCOC(=O)c1cc2ccncc2c(Cl)n1.CCc1cccc(-c2nc(C(=O)O)cc3ccncc23)c1.NCc1cccc(-c2nc(C(=O)Nc3ccccc3CC(=O)O)cc3ccncc23)c1.O=CC(F)(F)F.[Li+].[Na+].[OH-].[OH-]
• InChI: InChI=1S/C27H25N3O3.C26H24N4O3.C24H20N4O3.C19H18N2O2.C17H14N2O2.C12H18BNO4.C11H9ClN2O2.C10H13NO2.C2HF3O.2CH4.Li.Na.2H2O/c1-3-18-8-7-10-21(14-18)26-22-17-28-13-12-19(22)15-24(29-26)27(32)30-23-11-6-5-9-20(23)16-25(31)33-4-2;1-2-33-24(31)14-19-7-3-4-9-22(19)30-26(32)23-13-18-10-11-28-16-21(18)25(29-23)20-8-5-6-17(12-20)15-27;25-13-15-4-3-6-18(10-15)23-19-14-26-9-8-16(19)11-21(27-23)24(31)28-20-7-2-1-5-17(20)12-22(29)30;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;3-2(4,5)1-6;;;;;;/h5-15,17H,3-4,16H2,1-2H3,(H,30,32);3-13,16H,2,14-15,27H2,1H3,(H,30,32);1-11,14H,12-13,25H2,(H,28,31)(H,29,30);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;1H;2*1H4;;;2*1H2/q;;;;;;;;;;;2*+1;;/p-2
• InChIKey: IWTCXJPHEBWHIO-UHFFFAOYSA-L
• XLogP: 20.46
• TPSA: 682.00 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 35
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2738.16
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide?

The IUPAC name of lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide (CID 158828482) is lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide.

What is the SMILES notation for lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide?

The canonical SMILES for lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide is C.C.CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1.CCOC(=O)Cc1ccccc1N.CCOC(=O)Cc1ccccc1NC(=O)c1cc2ccncc2c(-c2cccc(CC)c2)n1.CCOC(=O)Cc1ccccc1NC(=O)c1cc2ccncc2c(-c2cccc(CN)c2)n1.CCOC(=O)c1cc2ccncc2c(-c2cccc(CC)c2)n1.CCOC(=O)c1cc2ccncc2c(Cl)n1.CCc1cccc(-c2nc(C(=O)O)cc3ccncc23)c1.NCc1cccc(-c2nc(C(=O)Nc3ccccc3CC(=O)O)cc3ccncc23)c1.O=CC(F)(F)F.[Li+].[Na+].[OH-].[OH-].

What is the InChIKey of lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide?

The InChIKey is IWTCXJPHEBWHIO-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H25N3O3.C26H24N4O3.C24H20N4O3.C19H18N2O2.C17H14N2O2.C12H18BNO4.C11H9ClN2O2.C10H13NO2.C2HF3O.2CH4.Li.Na.2H2O/c1-3-18-8-7-10-21(14-18)26-22-17-28-13-12-19(22)15-24(29-26)27(32)30-23-11-6-5-9-20(23)16-25(31)33-4-2;1-2-33-24(31)14-19-7-3-4-9-22(19)30-26(32)23-13-18-10-11-28-16-21(18)25(29-23)20-8-5-6-17(12-20)15-27;25-13-15-4-3-6-18(10-15)23-19-14-26-9-8-16(19)11-21(27-23)24(31)28-20-7-2-1-5-17(20)12-22(29)30;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;3-2(4,5)1-6;;;;;;/h5-15,17H,3-4,16H2,1-2H3,(H,30,32);3-13,16H,2,14-15,27H2,1H3,(H,30,32);1-11,14H,12-13,25H2,(H,28,31)(H,29,30);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;1H;2*1H4;;;2*1H2/q;;;;;;;;;;;2*+1;;/p-2.

What are the key properties of lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide?

lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide has a molecular weight of 2738.16 g/mol, XLogP of 20.46, 35 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;sodium;2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetic acid;ethyl 2-[2-[[1-[3-(aminomethyl)phenyl]-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 2-(2-aminophenyl)acetate;ethyl 1-chloro-2,7-naphthyridine-3-carboxylate;ethyl 2-[2-[[1-(3-ethylphenyl)-2,7-naphthyridine-3-carbonyl]amino]phenyl]acetate;ethyl 1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylate;1-(3-ethylphenyl)-2,7-naphthyridine-3-carboxylic acid;methane;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetaldehyde;dihydroxide is sourced from PubChem (CID 158828482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).