2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide

C27H29N5O6 — CID 137106234

About 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 137106234) has the molecular formula C27H29N5O6 and a molecular weight of 519.56 g/mol. Its IUPAC name is 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 137106234
• Molecular Formula: C27H29N5O6
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.21
• IUPAC Name: 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide
• SMILES: CCCCc1[nH]c(=O)c(-c2nnc(CC(=O)NCc3ccccn3)o2)c(O)c1-c1c(OC)cccc1OC
• InChI: InChI=1S/C27H29N5O6/c1-4-5-10-17-22(23-18(36-2)11-8-12-19(23)37-3)25(34)24(26(35)30-17)27-32-31-21(38-27)14-20(33)29-15-16-9-6-7-13-28-16/h6-9,11-13H,4-5,10,14-15H2,1-3H3,(H,29,33)(H2,30,34,35)
• InChIKey: MVAFUALCADSJTE-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 152.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 137106234) is 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide is CCCCc1[nH]c(=O)c(-c2nnc(CC(=O)NCc3ccccn3)o2)c(O)c1-c1c(OC)cccc1OC.

What is the InChIKey of 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is MVAFUALCADSJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O6/c1-4-5-10-17-22(23-18(36-2)11-8-12-19(23)37-3)25(34)24(26(35)30-17)27-32-31-21(38-27)14-20(33)29-15-16-9-6-7-13-28-16/h6-9,11-13H,4-5,10,14-15H2,1-3H3,(H,29,33)(H2,30,34,35).

What are the key properties of 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide?

2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 519.56 g/mol, XLogP of 3.41, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 137106234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).