1-(4-amino-2,6-dimethylphenyl)pyridin-2-one

C13H14N2O — CID 129044115

IUPAC1-(4-amino-2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cc(N)cc(C)c1-n1ccccc1=O
InChIInChI=1S/C13H14N2O/c1-9-7-11(14)8-10(2)13(9)15-6-4-3-5-12(15)16/h3-8H,14H2,1-2H3
InChIKeyYPEJDDGEUOJDSS-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.04
Rot. Bonds1

About 1-(4-amino-2,6-dimethylphenyl)pyridin-2-one

1-(4-amino-2,6-dimethylphenyl)pyridin-2-one (PubChem CID 129044115) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(4-amino-2,6-dimethylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-amino-2,6-dimethylphenyl)pyridin-2-one
PubChem CID129044115
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(4-amino-2,6-dimethylphenyl)pyridin-2-one
SMILESCc1cc(N)cc(C)c1-n1ccccc1=O
InChIInChI=1S/C13H14N2O/c1-9-7-11(14)8-10(2)13(9)15-6-4-3-5-12(15)16/h3-8H,14H2,1-2H3
InChIKeyYPEJDDGEUOJDSS-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-(4-amino-2,6-dimethylphenyl)pyridin-2-one?
The IUPAC name of 1-(4-amino-2,6-dimethylphenyl)pyridin-2-one (CID 129044115) is 1-(4-amino-2,6-dimethylphenyl)pyridin-2-one.
What is the SMILES notation for 1-(4-amino-2,6-dimethylphenyl)pyridin-2-one?
The canonical SMILES for 1-(4-amino-2,6-dimethylphenyl)pyridin-2-one is Cc1cc(N)cc(C)c1-n1ccccc1=O.
What is the InChIKey of 1-(4-amino-2,6-dimethylphenyl)pyridin-2-one?
The InChIKey is YPEJDDGEUOJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-7-11(14)8-10(2)13(9)15-6-4-3-5-12(15)16/h3-8H,14H2,1-2H3.
What are the key properties of 1-(4-amino-2,6-dimethylphenyl)pyridin-2-one?
1-(4-amino-2,6-dimethylphenyl)pyridin-2-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-(4-amino-2,6-dimethylphenyl)pyridin-2-one is sourced from PubChem (CID 129044115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).