4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol

C21H22N2O5 — CID 118392570

IUPAC4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc(N)c(-c3cc(OC)c(OC)c(OC)c3)c2)ccc1O
InChIInChI=1S/C21H22N2O5/c1-25-17-8-12(5-6-16(17)24)14-7-15(21(22)23-11-14)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,24H,1-4H3,(H2,22,23)
InChIKeyDVHFBEBXZOLSLS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.74
Rot. Bonds6

About 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol

4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol (PubChem CID 118392570) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol
PubChem CID118392570
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc(N)c(-c3cc(OC)c(OC)c(OC)c3)c2)ccc1O
InChIInChI=1S/C21H22N2O5/c1-25-17-8-12(5-6-16(17)24)14-7-15(21(22)23-11-14)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,24H,1-4H3,(H2,22,23)
InChIKeyDVHFBEBXZOLSLS-UHFFFAOYSA-N
XLogP3.74
TPSA96.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol?
The IUPAC name of 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol (CID 118392570) is 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol.
What is the SMILES notation for 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol?
The canonical SMILES for 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol is COc1cc(-c2cnc(N)c(-c3cc(OC)c(OC)c(OC)c3)c2)ccc1O.
What is the InChIKey of 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol?
The InChIKey is DVHFBEBXZOLSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-17-8-12(5-6-16(17)24)14-7-15(21(22)23-11-14)13-9-18(26-2)20(28-4)19(10-13)27-3/h5-11,24H,1-4H3,(H2,22,23).
What are the key properties of 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol?
4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol has a molecular weight of 382.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol is sourced from PubChem (CID 118392570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).