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

C21H23N3O — CID 135316292

IUPAC4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3cccc(N(C)C)c3)c2)cc(C)c1O
InChIInChI=1S/C21H23N3O/c1-13-8-16(9-14(2)20(13)25)17-11-19(21(22)23-12-17)15-6-5-7-18(10-15)24(3)4/h5-12,25H,1-4H3,(H2,22,23)
InChIKeyJJJMUQXQUWXJBC-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.39
Rot. Bonds3

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

4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol (PubChem CID 135316292) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol
PubChem CID135316292
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol
SMILESCc1cc(-c2cnc(N)c(-c3cccc(N(C)C)c3)c2)cc(C)c1O
InChIInChI=1S/C21H23N3O/c1-13-8-16(9-14(2)20(13)25)17-11-19(21(22)23-12-17)15-6-5-7-18(10-15)24(3)4/h5-12,25H,1-4H3,(H2,22,23)
InChIKeyJJJMUQXQUWXJBC-UHFFFAOYSA-N
XLogP4.39
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The IUPAC name of 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol (CID 135316292) is 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol is Cc1cc(-c2cnc(N)c(-c3cccc(N(C)C)c3)c2)cc(C)c1O.
What is the InChIKey of 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
The InChIKey is JJJMUQXQUWXJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-13-8-16(9-14(2)20(13)25)17-11-19(21(22)23-12-17)15-6-5-7-18(10-15)24(3)4/h5-12,25H,1-4H3,(H2,22,23).
What are the key properties of 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol?
4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol has a molecular weight of 333.44 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[3-(dimethylamino)phenyl]-3-pyridinyl]-2,6-dimethylphenol is sourced from PubChem (CID 135316292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).