1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid

C114H93N23O20 — CID 159897209

About 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid

1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid (PubChem CID 159897209) has the molecular formula C114H93N23O20 and a molecular weight of 2105.14 g/mol. Its IUPAC name is 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid.

Molecular Properties

• Compound Name: 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid
• PubChem CID: 159897209
• Molecular Formula: C114H93N23O20
• Molecular Weight: 2105.14 g/mol
• Exact Mass: 2103.70
• IUPAC Name: 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid
• SMILES: CC(=O)c1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(C(=O)O)cc3)nc2N2C=C(C)C(=O)CC2=O)cc1.CC(=O)c1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(C(=O)O)cc3)nc2N2C=CC(=O)CC2=O)cc1.CC(=O)c1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(C(=O)O)cc3)nc2NC2=NC(=O)CC=C2)cc1.CC(=O)c1nc(N)c(N2C(=O)C=CCC2=O)nc1N.CC(=O)c1nc(N)c(N2C(=O)CC=C(C)C2=O)nc1N
• InChI: InChI=1S/C31H24N4O5.C30H23N5O4.C30H22N4O5.C12H13N5O3.C11H11N5O3/c1-17-16-35(26(38)15-25(17)37)30-29(22-5-3-19(4-6-22)18(2)36)33-27(21-11-13-24(32)14-12-21)28(34-30)20-7-9-23(10-8-20)31(39)40;1-17(36)18-5-7-21(8-6-18)28-29(33-24-3-2-4-25(37)32-24)35-27(19-9-11-22(12-10-19)30(38)39)26(34-28)20-13-15-23(31)16-14-20;1-17(35)18-2-4-21(5-3-18)28-29(34-15-14-24(36)16-25(34)37)33-27(19-6-8-22(9-7-19)30(38)39)26(32-28)20-10-12-23(31)13-11-20;1-5-3-4-7(19)17(12(5)20)11-10(14)15-8(6(2)18)9(13)16-11;1-5(17)8-9(12)15-11(10(13)14-8)16-6(18)3-2-4-7(16)19/h3-14,16H,15,32H2,1-2H3,(H,39,40);2-3,5-16H,4,31H2,1H3,(H,38,39)(H,32,33,35,37);2-15H,16,31H2,1H3,(H,38,39);3H,4H2,1-2H3,(H2,13,16)(H2,14,15);2-3H,4H2,1H3,(H2,12,15)(H2,13,14)
• InChIKey: NVMNTQKOYFHWBY-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 699.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2105.14
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid?

The IUPAC name of 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid (CID 159897209) is 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid.

What is the SMILES notation for 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid?

The canonical SMILES for 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid is CC(=O)c1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(C(=O)O)cc3)nc2N2C=C(C)C(=O)CC2=O)cc1.CC(=O)c1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(C(=O)O)cc3)nc2N2C=CC(=O)CC2=O)cc1.CC(=O)c1ccc(-c2nc(-c3ccc(N)cc3)c(-c3ccc(C(=O)O)cc3)nc2NC2=NC(=O)CC=C2)cc1.CC(=O)c1nc(N)c(N2C(=O)C=CCC2=O)nc1N.CC(=O)c1nc(N)c(N2C(=O)CC=C(C)C2=O)nc1N.

What is the InChIKey of 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid?

The InChIKey is NVMNTQKOYFHWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O5.C30H23N5O4.C30H22N4O5.C12H13N5O3.C11H11N5O3/c1-17-16-35(26(38)15-25(17)37)30-29(22-5-3-19(4-6-22)18(2)36)33-27(21-11-13-24(32)14-12-21)28(34-30)20-7-9-23(10-8-20)31(39)40;1-17(36)18-5-7-21(8-6-18)28-29(33-24-3-2-4-25(37)32-24)35-27(19-9-11-22(12-10-19)30(38)39)26(34-28)20-13-15-23(31)16-14-20;1-17(35)18-2-4-21(5-3-18)28-29(34-15-14-24(36)16-25(34)37)33-27(19-6-8-22(9-7-19)30(38)39)26(32-28)20-10-12-23(31)13-11-20;1-5-3-4-7(19)17(12(5)20)11-10(14)15-8(6(2)18)9(13)16-11;1-5(17)8-9(12)15-11(10(13)14-8)16-6(18)3-2-4-7(16)19/h3-14,16H,15,32H2,1-2H3,(H,39,40);2-3,5-16H,4,31H2,1H3,(H,38,39)(H,32,33,35,37);2-15H,16,31H2,1H3,(H,38,39);3H,4H2,1-2H3,(H2,13,16)(H2,14,15);2-3H,4H2,1H3,(H2,12,15)(H2,13,14).

What are the key properties of 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid?

1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid has a molecular weight of 2105.14 g/mol, XLogP of 14.92, 22 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-acetyl-3,6-diaminopyrazin-2-yl)-5-methyl-3H-pyridine-2,6-dione;1-(5-acetyl-3,6-diaminopyrazin-2-yl)-3H-pyridine-2,6-dione;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-(5-methyl-2,4-dioxo-1-pyridinyl)pyrazin-2-yl]benzoic acid;4-[5-(4-acetylphenyl)-3-(4-aminophenyl)-6-[(2-oxo-3H-pyridin-6-yl)amino]pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 159897209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).