N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide

C24H24N6O4 — CID 58103354

About N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 58103354) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide
• PubChem CID: 58103354
• Molecular Formula: C24H24N6O4
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.19
• IUPAC Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(NC(=O)Cn4cnnn4)c3)n2)cc1OC
• InChI: InChI=1S/C24H24N6O4/c1-32-21-10-9-17(13-22(21)33-2)11-12-34-24-8-4-7-20(27-24)18-5-3-6-19(14-18)26-23(31)15-30-16-25-28-29-30/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,31)
• InChIKey: HXRAYVYVQSJBBU-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 113.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide?

The IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide (CID 58103354) is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide.

What is the SMILES notation for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide?

The canonical SMILES for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide is COc1ccc(CCOc2cccc(-c3cccc(NC(=O)Cn4cnnn4)c3)n2)cc1OC.

What is the InChIKey of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide?

The InChIKey is HXRAYVYVQSJBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-32-21-10-9-17(13-22(21)33-2)11-12-34-24-8-4-7-20(27-24)18-5-3-6-19(14-18)26-23(31)15-30-16-25-28-29-30/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,26,31).

What are the key properties of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide?

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 460.49 g/mol, XLogP of 3.01, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 58103354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).