lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide

C124H185LiN16O29 — CID 158223528

About lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide

lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide (PubChem CID 158223528) has the molecular formula C124H185LiN16O29 and a molecular weight of 2370.87 g/mol. Its IUPAC name is lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide.

Molecular Properties

• Compound Name: lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide
• PubChem CID: 158223528
• Molecular Formula: C124H185LiN16O29
• Molecular Weight: 2370.87 g/mol
• Exact Mass: 2369.37
• IUPAC Name: lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide
• SMILES: C1CCNC1.CC(C)(C)OC(=O)N1CCCc2ccc(CCC(=O)O)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCC=O)nc21.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)CCC(C)=O.CCOC(=O)CCc1ccc2c(n1)CCCC2.CCOC(=O)CCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)CCc1ccc2cccnc2n1.CN(C)C(=O)CCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CNOC.Nc1ncccc1C=O.[H][H].[Li+].[OH-]
• InChI: InChI=1S/C18H27N3O3.C18H26N2O4.C16H22N2O4.C16H22N2O3.C14H19NO2.C13H14N2O2.C10H18O5.C7H12O3.C6H6N2O.C4H9N.C2H7NO.Li.H2O.H2/c1-18(2,3)24-17(23)21-12-6-7-13-8-9-14(19-16(13)21)10-11-15(22)20(4)5;1-5-23-15(21)11-10-14-9-8-13-7-6-12-20(16(13)19-14)17(22)24-18(2,3)4;1-16(2,3)22-15(21)18-10-4-5-11-6-7-12(17-14(11)18)8-9-13(19)20;1-16(2,3)21-15(20)18-10-4-6-12-8-9-13(7-5-11-19)17-14(12)18;1-2-17-14(16)10-9-12-8-7-11-5-3-4-6-13(11)15-12;1-2-17-12(16)8-7-11-6-5-10-4-3-9-14-13(10)15-11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-3-10-7(9)5-4-6(2)8;7-6-5(4-9)2-1-3-8-6;1-2-4-5-3-1;1-3-4-2;;;/h8-9H,6-7,10-12H2,1-5H3;8-9H,5-7,10-12H2,1-4H3;6-7H,4-5,8-10H2,1-3H3,(H,19,20);8-9,11H,4-7,10H2,1-3H3;7-8H,2-6,9-10H2,1H3;3-6,9H,2,7-8H2,1H3;1-6H3;3-5H2,1-2H3;1-4H,(H2,7,8);5H,1-4H2;3H,1-2H3;;1H2;1H/q;;;;;;;;;;;+1;;/p-1
• InChIKey: GDNLGQQNYHJANV-UHFFFAOYSA-M
• XLogP: 17.80
• TPSA: 586.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 27
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2370.87
LogP ≤ 5	17.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide?

The IUPAC name of lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide (CID 158223528) is lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide.

What is the SMILES notation for lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide?

The canonical SMILES for lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide is C1CCNC1.CC(C)(C)OC(=O)N1CCCc2ccc(CCC(=O)O)nc21.CC(C)(C)OC(=O)N1CCCc2ccc(CCC=O)nc21.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)CCC(C)=O.CCOC(=O)CCc1ccc2c(n1)CCCC2.CCOC(=O)CCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CCOC(=O)CCc1ccc2cccnc2n1.CN(C)C(=O)CCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2.CNOC.Nc1ncccc1C=O.[H][H].[Li+].[OH-].

What is the InChIKey of lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide?

The InChIKey is GDNLGQQNYHJANV-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H27N3O3.C18H26N2O4.C16H22N2O4.C16H22N2O3.C14H19NO2.C13H14N2O2.C10H18O5.C7H12O3.C6H6N2O.C4H9N.C2H7NO.Li.H2O.H2/c1-18(2,3)24-17(23)21-12-6-7-13-8-9-14(19-16(13)21)10-11-15(22)20(4)5;1-5-23-15(21)11-10-14-9-8-13-7-6-12-20(16(13)19-14)17(22)24-18(2,3)4;1-16(2,3)22-15(21)18-10-4-5-11-6-7-12(17-14(11)18)8-9-13(19)20;1-16(2,3)21-15(20)18-10-4-6-12-8-9-13(7-5-11-19)17-14(12)18;1-2-17-14(16)10-9-12-8-7-11-5-3-4-6-13(11)15-12;1-2-17-12(16)8-7-11-6-5-10-4-3-9-14-13(10)15-11;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-3-10-7(9)5-4-6(2)8;7-6-5(4-9)2-1-3-8-6;1-2-4-5-3-1;1-3-4-2;;;/h8-9H,6-7,10-12H2,1-5H3;8-9H,5-7,10-12H2,1-4H3;6-7H,4-5,8-10H2,1-3H3,(H,19,20);8-9,11H,4-7,10H2,1-3H3;7-8H,2-6,9-10H2,1H3;3-6,9H,2,7-8H2,1H3;1-6H3;3-5H2,1-2H3;1-4H,(H2,7,8);5H,1-4H2;3H,1-2H3;;1H2;1H/q;;;;;;;;;;;+1;;/p-1.

What are the key properties of lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide?

lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide has a molecular weight of 2370.87 g/mol, XLogP of 17.80, 27 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-aminopyridine-3-carbaldehyde;tert-butyl 7-[3-(dimethylamino)-3-oxopropyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl 7-(3-ethoxy-3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 7-(3-oxopropyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate;ethyl 3-(1,8-naphthyridin-2-yl)propanoate;ethyl 4-oxopentanoate;ethyl 3-(5,6,7,8-tetrahydroquinolin-2-yl)propanoate;N-methoxymethanamine;3-[8-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-1,8-naphthyridin-2-yl]propanoic acid;molecular hydrogen;pyrrolidine;hydroxide is sourced from PubChem (CID 158223528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).