6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione

C26H32N4O7 — CID 145200678

About 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione

6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione (PubChem CID 145200678) has the molecular formula C26H32N4O7 and a molecular weight of 512.56 g/mol. Its IUPAC name is 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione.

Molecular Properties

• Compound Name: 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione
• PubChem CID: 145200678
• Molecular Formula: C26H32N4O7
• Molecular Weight: 512.56 g/mol
• Exact Mass: 512.23
• IUPAC Name: 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione
• SMILES: CCCCc1[nH]c(=O)c(-c2nnc(CC)o2)c(O)c1-c1c(OC)cccc1OC.CN1CC(=O)CC1=O
• InChI: InChI=1S/C21H25N3O5.C5H7NO2/c1-5-7-9-12-16(17-13(27-3)10-8-11-14(17)28-4)19(25)18(20(26)22-12)21-24-23-15(6-2)29-21;1-6-3-4(7)2-5(6)8/h8,10-11H,5-7,9H2,1-4H3,(H2,22,25,26);2-3H2,1H3
• InChIKey: QYADHGQYVHWPRL-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 147.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.56
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione?

The IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione (CID 145200678) is 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione.

What is the SMILES notation for 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione?

The canonical SMILES for 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione is CCCCc1[nH]c(=O)c(-c2nnc(CC)o2)c(O)c1-c1c(OC)cccc1OC.CN1CC(=O)CC1=O.

What is the InChIKey of 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione?

The InChIKey is QYADHGQYVHWPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5.C5H7NO2/c1-5-7-9-12-16(17-13(27-3)10-8-11-14(17)28-4)19(25)18(20(26)22-12)21-24-23-15(6-2)29-21;1-6-3-4(7)2-5(6)8/h8,10-11H,5-7,9H2,1-4H3,(H2,22,25,26);2-3H2,1H3.

What are the key properties of 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione?

6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione has a molecular weight of 512.56 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butyl-5-(2,6-dimethoxyphenyl)-3-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-hydroxy-1H-pyridin-2-one;1-methylpyrrolidine-2,4-dione is sourced from PubChem (CID 145200678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).