4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol

C₂₀H₂₀N₂O₄ — CID 118392595

About 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol

4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol (PubChem CID 118392595) has the molecular formula C₂₀H₂₀N₂O₄ and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol.

Molecular Properties

• Compound Name: 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
• PubChem CID: 118392595
• Molecular Formula: C₂₀H₂₀N₂O₄
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.14
• IUPAC Name: 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
• SMILES: COc1cc(-c2cc(-c3ccc(O)cc3)cnc2N)cc(OC)c1OC
• InChI: InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-4-6-15(23)7-5-12/h4-11,23H,1-3H3,(H2,21,22)
• InChIKey: PCGVHKSBFKSOEH-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 86.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?

The IUPAC name of 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol (CID 118392595) is 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol.

What is the SMILES notation for 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?

The canonical SMILES for 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol is COc1cc(-c2cc(-c3ccc(O)cc3)cnc2N)cc(OC)c1OC.

What is the InChIKey of 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?

The InChIKey is PCGVHKSBFKSOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)16-8-14(11-22-20(16)21)12-4-6-15(23)7-5-12/h4-11,23H,1-3H3,(H2,21,22).

What are the key properties of 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?

4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol has a molecular weight of 352.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 118392595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118392595 — identifiers, structure, computed properties (public domain)

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