3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol

C20H20N2O4 — CID 126672824

IUPAC3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
SMILESCOc1cc(-c2cnc(N)c(-c3cccc(O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)14-8-16(20(21)22-11-14)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)
InChIKeyJBYKLPNCJMHCBO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.73
Rot. Bonds5

About 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol

3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol (PubChem CID 126672824) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
PubChem CID126672824
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
SMILESCOc1cc(-c2cnc(N)c(-c3cccc(O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)14-8-16(20(21)22-11-14)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22)
InChIKeyJBYKLPNCJMHCBO-UHFFFAOYSA-N
XLogP3.73
TPSA86.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?
The IUPAC name of 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol (CID 126672824) is 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol.
What is the SMILES notation for 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?
The canonical SMILES for 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol is COc1cc(-c2cnc(N)c(-c3cccc(O)c3)c2)cc(OC)c1OC.
What is the InChIKey of 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?
The InChIKey is JBYKLPNCJMHCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-17-9-13(10-18(25-2)19(17)26-3)14-8-16(20(21)22-11-14)12-5-4-6-15(23)7-12/h4-11,23H,1-3H3,(H2,21,22).
What are the key properties of 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol?
3-[2-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 3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol is sourced from PubChem (CID 126672824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).