6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

C23H30N4O6 — CID 137304670

About 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one

6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 137304670) has the molecular formula C23H30N4O6 and a molecular weight of 458.52 g/mol. Its IUPAC name is 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
• PubChem CID: 137304670
• Molecular Formula: C23H30N4O6
• Molecular Weight: 458.52 g/mol
• Exact Mass: 458.22
• IUPAC Name: 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
• SMILES: CCCCc1[nH]c(=O)c(-c2nnc(CNCCOC)o2)c(O)c1-c1c(OC)cccc1OC
• InChI: InChI=1S/C23H30N4O6/c1-5-6-8-14-18(19-15(31-3)9-7-10-16(19)32-4)21(28)20(22(29)25-14)23-27-26-17(33-23)13-24-11-12-30-2/h7,9-10,24H,5-6,8,11-13H2,1-4H3,(H2,25,28,29)
• InChIKey: ZTPFTDWMRPNVGW-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 131.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.52
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?

The IUPAC name of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one (CID 137304670) is 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one.

What is the SMILES notation for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?

The canonical SMILES for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(-c2nnc(CNCCOC)o2)c(O)c1-c1c(OC)cccc1OC.

What is the InChIKey of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?

The InChIKey is ZTPFTDWMRPNVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6/c1-5-6-8-14-18(19-15(31-3)9-7-10-16(19)32-4)21(28)20(22(29)25-14)23-27-26-17(33-23)13-24-11-12-30-2/h7,9-10,24H,5-6,8,11-13H2,1-4H3,(H2,25,28,29).

What are the key properties of 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one?

6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 458.52 g/mol, XLogP of 2.89, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 137304670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).