4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol

C20H21N3O2 — CID 126672910

IUPAC4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc(N)c(-c3cccc(N(C)C)c3)c2)ccc1O
InChIInChI=1S/C20H21N3O2/c1-23(2)16-6-4-5-14(9-16)17-10-15(12-22-20(17)21)13-7-8-18(24)19(11-13)25-3/h4-12,24H,1-3H3,(H2,21,22)
InChIKeyVZHZBXGWOHQJPL-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.78
Rot. Bonds4

About 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol

4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol (PubChem CID 126672910) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol
PubChem CID126672910
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol
SMILESCOc1cc(-c2cnc(N)c(-c3cccc(N(C)C)c3)c2)ccc1O
InChIInChI=1S/C20H21N3O2/c1-23(2)16-6-4-5-14(9-16)17-10-15(12-22-20(17)21)13-7-8-18(24)19(11-13)25-3/h4-12,24H,1-3H3,(H2,21,22)
InChIKeyVZHZBXGWOHQJPL-UHFFFAOYSA-N
XLogP3.78
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol?
The IUPAC name of 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol (CID 126672910) is 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol.
What is the SMILES notation for 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol?
The canonical SMILES for 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol is COc1cc(-c2cnc(N)c(-c3cccc(N(C)C)c3)c2)ccc1O.
What is the InChIKey of 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol?
The InChIKey is VZHZBXGWOHQJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-23(2)16-6-4-5-14(9-16)17-10-15(12-22-20(17)21)13-7-8-18(24)19(11-13)25-3/h4-12,24H,1-3H3,(H2,21,22).
What are the key properties of 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol?
4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol has a molecular weight of 335.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2-methoxyphenol is sourced from PubChem (CID 126672910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).