N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C25H24N4O5 — CID 70804284

About N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 70804284) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 70804284
• Molecular Formula: C25H24N4O5
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.17
• IUPAC Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4nonc4C)c3)n2)cc1OC
• InChI: InChI=1S/C25H24N4O5/c1-16-24(29-34-28-16)25(30)26-19-7-4-6-18(15-19)20-8-5-9-23(27-20)33-13-12-17-10-11-21(31-2)22(14-17)32-3/h4-11,14-15H,12-13H2,1-3H3,(H,26,30)
• InChIKey: SNFHKSICXNMYFW-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 108.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 70804284) is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is COc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4nonc4C)c3)n2)cc1OC.

What is the InChIKey of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is SNFHKSICXNMYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-16-24(29-34-28-16)25(30)26-19-7-4-6-18(15-19)20-8-5-9-23(27-20)33-13-12-17-10-11-21(31-2)22(14-17)32-3/h4-11,14-15H,12-13H2,1-3H3,(H,26,30).

What are the key properties of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 70804284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).