diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C130H147N19O25 — CID 160676864

About diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 160676864) has the molecular formula C130H147N19O25 and a molecular weight of 2375.71 g/mol. Its IUPAC name is diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 160676864
• Molecular Formula: C130H147N19O25
• Molecular Weight: 2375.71 g/mol
• Exact Mass: 2374.08
• IUPAC Name: diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: C.CCOC(=O)C(=CNc1ccc(C)c(C)n1)C(=O)OCC.CCOC(=O)c1c[nH]c2nc(C)c(C)cc2c1=O.CCOC(=O)c1cn(Cc2cccc(C)n2)c2nc(C)c(C)cc2c1=O.CCOC=C(C(=O)OCC)C(=O)OCC.CON(C)C(=O)c1cn(Cc2cccc(C)n2)c2nc(C)c(C)cc2c1=O.Cc1ccc(N)nc1C.Cc1cccc(Cn2cc(C(=O)O)c(=O)c3cc(C)c(C)nc32)n1.Cc1cccc(Cn2cc(C(=O)c3ccc4c(c3)OCCO4)c(=O)c3cc(C)c(C)nc32)n1
• InChI: InChI=1S/C26H23N3O4.C20H22N4O3.C20H21N3O3.C18H17N3O3.C15H20N2O4.C13H14N2O3.C10H16O5.C7H10N2.CH4/c1-15-11-20-25(31)21(24(30)18-7-8-22-23(12-18)33-10-9-32-22)14-29(26(20)28-17(15)3)13-19-6-4-5-16(2)27-19;1-12-9-16-18(25)17(20(26)23(4)27-5)11-24(19(16)22-14(12)3)10-15-8-6-7-13(2)21-15;1-5-26-20(25)17-11-23(10-15-8-6-7-13(3)21-15)19-16(18(17)24)9-12(2)14(4)22-19;1-10-7-14-16(22)15(18(23)24)9-21(17(14)20-12(10)3)8-13-6-4-5-11(2)19-13;1-5-20-14(18)12(15(19)21-6-2)9-16-13-8-7-10(3)11(4)17-13;1-4-18-13(17)10-6-14-12-9(11(10)16)5-7(2)8(3)15-12;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;1-5-3-4-7(8)9-6(5)2;/h4-8,11-12,14H,9-10,13H2,1-3H3;6-9,11H,10H2,1-5H3;6-9,11H,5,10H2,1-4H3;4-7,9H,8H2,1-3H3,(H,23,24);7-9H,5-6H2,1-4H3,(H,16,17);5-6H,4H2,1-3H3,(H,14,15,16);7H,4-6H2,1-3H3;3-4H,1-2H3,(H2,8,9);1H4
• InChIKey: RNQJJWNPXYYWPR-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 570.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 29
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2375.71
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 160676864) is diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide is C.CCOC(=O)C(=CNc1ccc(C)c(C)n1)C(=O)OCC.CCOC(=O)c1c[nH]c2nc(C)c(C)cc2c1=O.CCOC(=O)c1cn(Cc2cccc(C)n2)c2nc(C)c(C)cc2c1=O.CCOC=C(C(=O)OCC)C(=O)OCC.CON(C)C(=O)c1cn(Cc2cccc(C)n2)c2nc(C)c(C)cc2c1=O.Cc1ccc(N)nc1C.Cc1cccc(Cn2cc(C(=O)O)c(=O)c3cc(C)c(C)nc32)n1.Cc1cccc(Cn2cc(C(=O)c3ccc4c(c3)OCCO4)c(=O)c3cc(C)c(C)nc32)n1.

What is the InChIKey of diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is RNQJJWNPXYYWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4.C20H22N4O3.C20H21N3O3.C18H17N3O3.C15H20N2O4.C13H14N2O3.C10H16O5.C7H10N2.CH4/c1-15-11-20-25(31)21(24(30)18-7-8-22-23(12-18)33-10-9-32-22)14-29(26(20)28-17(15)3)13-19-6-4-5-16(2)27-19;1-12-9-16-18(25)17(20(26)23(4)27-5)11-24(19(16)22-14(12)3)10-15-8-6-7-13(2)21-15;1-5-26-20(25)17-11-23(10-15-8-6-7-13(3)21-15)19-16(18(17)24)9-12(2)14(4)22-19;1-10-7-14-16(22)15(18(23)24)9-21(17(14)20-12(10)3)8-13-6-4-5-11(2)19-13;1-5-20-14(18)12(15(19)21-6-2)9-16-13-8-7-10(3)11(4)17-13;1-4-18-13(17)10-6-14-12-9(11(10)16)5-7(2)8(3)15-12;1-4-13-7-8(9(11)14-5-2)10(12)15-6-3;1-5-3-4-7(8)9-6(5)2;/h4-8,11-12,14H,9-10,13H2,1-3H3;6-9,11H,10H2,1-5H3;6-9,11H,5,10H2,1-4H3;4-7,9H,8H2,1-3H3,(H,23,24);7-9H,5-6H2,1-4H3,(H,16,17);5-6H,4H2,1-3H3,(H,14,15,16);7H,4-6H2,1-3H3;3-4H,1-2H3,(H2,8,9);1H4.

What are the key properties of diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 2375.71 g/mol, XLogP of 18.36, 29 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for diethyl 2-[[(5,6-dimethyl-2-pyridinyl)amino]methylidene]propanedioate;diethyl 2-(ethoxymethylidene)propanedioate;3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-1,8-naphthyridin-4-one;6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 6,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate;ethyl 6,7-dimethyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate;methane;N-methoxy-N,6,7-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 160676864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).