3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol

C20H20N2O4 — CID 68951423

IUPAC3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol
SMILESCOc1cc(Nc2cncc(-c3cccc(O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-18-9-15(10-19(25-2)20(18)26-3)22-16-7-14(11-21-12-16)13-5-4-6-17(23)8-13/h4-12,22-23H,1-3H3
InChIKeyUARVFYUWKJFPIB-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.22
Rot. Bonds6

About 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol

3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol (PubChem CID 68951423) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol.

Molecular Properties

Compound Name3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol
PubChem CID68951423
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol
SMILESCOc1cc(Nc2cncc(-c3cccc(O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4/c1-24-18-9-15(10-19(25-2)20(18)26-3)22-16-7-14(11-21-12-16)13-5-4-6-17(23)8-13/h4-12,22-23H,1-3H3
InChIKeyUARVFYUWKJFPIB-UHFFFAOYSA-N
XLogP4.22
TPSA72.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]phenol
CID 11595532
3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
CID 126672824
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
N-propan-2-yl-5-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109223331
6-(3-phenylphenoxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 59343474
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180
3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol
CID 68947843
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
3-[5-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenol
CID 175705095
6-(3-aminophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine;propane
CID 143250197
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol?
The IUPAC name of 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol (CID 68951423) is 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol.
What is the SMILES notation for 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol?
The canonical SMILES for 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol is COc1cc(Nc2cncc(-c3cccc(O)c3)c2)cc(OC)c1OC.
What is the InChIKey of 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol?
The InChIKey is UARVFYUWKJFPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-24-18-9-15(10-19(25-2)20(18)26-3)22-16-7-14(11-21-12-16)13-5-4-6-17(23)8-13/h4-12,22-23H,1-3H3.
What are the key properties of 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol?
3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol has a molecular weight of 352.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4,5-trimethoxyanilino)-3-pyridinyl]phenol is sourced from PubChem (CID 68951423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).