1-(2-aminophenyl)-2,6-dimethylpyridin-4-one

C13H14N2O — CID 977818

IUPAC1-(2-aminophenyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1ccccc1N
InChIInChI=1S/C13H14N2O/c1-9-7-11(16)8-10(2)15(9)13-6-4-3-5-12(13)14/h3-8H,14H2,1-2H3
InChIKeyFTRATJDJHCBQCC-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.04
Rot. Bonds1

About 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one

1-(2-aminophenyl)-2,6-dimethylpyridin-4-one (PubChem CID 977818) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-2,6-dimethylpyridin-4-one
PubChem CID977818
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(2-aminophenyl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1-c1ccccc1N
InChIInChI=1S/C13H14N2O/c1-9-7-11(16)8-10(2)15(9)13-6-4-3-5-12(13)14/h3-8H,14H2,1-2H3
InChIKeyFTRATJDJHCBQCC-UHFFFAOYSA-N
XLogP2.04
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one (CID 977818) is 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1-c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one?
The InChIKey is FTRATJDJHCBQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-7-11(16)8-10(2)15(9)13-6-4-3-5-12(13)14/h3-8H,14H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one?
1-(2-aminophenyl)-2,6-dimethylpyridin-4-one has a molecular weight of 214.27 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 977818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).