1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione

C141H146N8O27 — CID 161011873

About 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione

1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione (PubChem CID 161011873) has the molecular formula C141H146N8O27 and a molecular weight of 2384.75 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione.

Molecular Properties

• Compound Name: 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione
• PubChem CID: 161011873
• Molecular Formula: C141H146N8O27
• Molecular Weight: 2384.75 g/mol
• Exact Mass: 2383.03
• IUPAC Name: 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione
• SMILES: COc1cc(C(=O)CCC(=O)c2cc(C)c(OC)c(OC)c2)cc(C)n1.COc1cc(C(=O)CCC(=O)c2ccc(C)c(OC)n2)cc(C)c1OC.COc1cc(C(=O)CCC(=O)c2cccnc2)cc(C)c1OC.COc1cc(C(=O)CCC(=O)c2cnc(C)c(C)c2)cc(C)c1OC.COc1cc(C)ccc1C(=O)CCC(=O)c1cccnc1.Cc1ccc(C(=O)CCC(=O)c2cccnc2)cc1.O=C(CCC(=O)c1ccccn1)c1ccccc1.O=C(CCC(=O)c1cccnc1)c1ccccc1
• InChI: InChI=1S/2C20H23NO5.C20H23NO4.C18H19NO4.C17H17NO3.C16H15NO2.2C15H13NO2/c1-12-8-14(10-18(24-3)20(12)26-5)16(22)6-7-17(23)15-9-13(2)21-19(11-15)25-4;1-12-6-7-15(21-20(12)26-5)17(23)9-8-16(22)14-10-13(2)19(25-4)18(11-14)24-3;1-12-8-16(11-21-14(12)3)18(23)7-6-17(22)15-9-13(2)20(25-5)19(10-15)24-4;1-12-9-14(10-17(22-2)18(12)23-3)16(21)7-6-15(20)13-5-4-8-19-11-13;1-12-5-6-14(17(10-12)21-2)16(20)8-7-15(19)13-4-3-9-18-11-13;1-12-4-6-13(7-5-12)15(18)8-9-16(19)14-3-2-10-17-11-14;17-14(12-6-2-1-3-7-12)9-10-15(18)13-8-4-5-11-16-13;17-14(12-5-2-1-3-6-12)8-9-15(18)13-7-4-10-16-11-13/h8-11H,6-7H2,1-5H3;6-7,10-11H,8-9H2,1-5H3;8-11H,6-7H2,1-5H3;4-5,8-11H,6-7H2,1-3H3;3-6,9-11H,7-8H2,1-2H3;2-7,10-11H,8-9H2,1H3;1-8,11H,9-10H2;1-7,10-11H,8-9H2
• InChIKey: TXFMDTVSXMANJL-UHFFFAOYSA-N
• XLogP: 26.60
• TPSA: 477.77 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 51
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.75
LogP ≤ 5	26.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione?

The IUPAC name of 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione (CID 161011873) is 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione.

What is the SMILES notation for 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione?

The canonical SMILES for 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione is COc1cc(C(=O)CCC(=O)c2cc(C)c(OC)c(OC)c2)cc(C)n1.COc1cc(C(=O)CCC(=O)c2ccc(C)c(OC)n2)cc(C)c1OC.COc1cc(C(=O)CCC(=O)c2cccnc2)cc(C)c1OC.COc1cc(C(=O)CCC(=O)c2cnc(C)c(C)c2)cc(C)c1OC.COc1cc(C)ccc1C(=O)CCC(=O)c1cccnc1.Cc1ccc(C(=O)CCC(=O)c2cccnc2)cc1.O=C(CCC(=O)c1ccccn1)c1ccccc1.O=C(CCC(=O)c1cccnc1)c1ccccc1.

What is the InChIKey of 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione?

The InChIKey is TXFMDTVSXMANJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H23NO5.C20H23NO4.C18H19NO4.C17H17NO3.C16H15NO2.2C15H13NO2/c1-12-8-14(10-18(24-3)20(12)26-5)16(22)6-7-17(23)15-9-13(2)21-19(11-15)25-4;1-12-6-7-15(21-20(12)26-5)17(23)9-8-16(22)14-10-13(2)19(25-4)18(11-14)24-3;1-12-8-16(11-21-14(12)3)18(23)7-6-17(22)15-9-13(2)20(25-5)19(10-15)24-4;1-12-9-14(10-17(22-2)18(12)23-3)16(21)7-6-15(20)13-5-4-8-19-11-13;1-12-5-6-14(17(10-12)21-2)16(20)8-7-15(19)13-4-3-9-18-11-13;1-12-4-6-13(7-5-12)15(18)8-9-16(19)14-3-2-10-17-11-14;17-14(12-6-2-1-3-7-12)9-10-15(18)13-8-4-5-11-16-13;17-14(12-5-2-1-3-6-12)8-9-15(18)13-7-4-10-16-11-13/h8-11H,6-7H2,1-5H3;6-7,10-11H,8-9H2,1-5H3;8-11H,6-7H2,1-5H3;4-5,8-11H,6-7H2,1-3H3;3-6,9-11H,7-8H2,1-2H3;2-7,10-11H,8-9H2,1H3;1-8,11H,9-10H2;1-7,10-11H,8-9H2.

What are the key properties of 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione?

1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione has a molecular weight of 2384.75 g/mol, XLogP of 26.60, 51 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethoxy-5-methylphenyl)-4-(5,6-dimethyl-3-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(2-methoxy-6-methyl-4-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-(6-methoxy-5-methyl-2-pyridinyl)butane-1,4-dione;1-(3,4-dimethoxy-5-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(2-methoxy-4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-(4-methylphenyl)-4-pyridin-3-ylbutane-1,4-dione;1-phenyl-4-pyridin-2-ylbutane-1,4-dione;1-phenyl-4-pyridin-3-ylbutane-1,4-dione is sourced from PubChem (CID 161011873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).