1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one

C14H16N2O — CID 112557829

IUPAC1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one
SMILESCc1ccc(N)c(-n2c(C)cc(=O)cc2C)c1
InChIInChI=1S/C14H16N2O/c1-9-4-5-13(15)14(6-9)16-10(2)7-12(17)8-11(16)3/h4-8H,15H2,1-3H3
InChIKeyXQXSVJPLVMAPMR-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.34
Rot. Bonds1

About 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one

1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one (PubChem CID 112557829) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one
PubChem CID112557829
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one
SMILESCc1ccc(N)c(-n2c(C)cc(=O)cc2C)c1
InChIInChI=1S/C14H16N2O/c1-9-4-5-13(15)14(6-9)16-10(2)7-12(17)8-11(16)3/h4-8H,15H2,1-3H3
InChIKeyXQXSVJPLVMAPMR-UHFFFAOYSA-N
XLogP2.34
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dimethyl-4-oxo-1-pyridinyl)-5-methylbenzoic acid
CID 79884479
1-(2-amino-5-methylphenyl)pyrrolidine-2,5-dione
CID 112557668
4-methyl-2-pyrrolidin-1-ylaniline
CID 66998612
4-methyl-2-(1,2,4-triazol-4-yl)aniline
CID 82411401
5-amino-2-(2,6-dimethyl-4-oxo-1-pyridinyl)benzoic acid
CID 79885475
4-methyl-2-(3-methylazetidin-1-yl)aniline
CID 112557819
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-4-methylaniline
CID 97051035
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methylaniline
CID 115558866
2-(3-tert-butylazetidin-1-yl)-4-methylaniline
CID 112557821
2-(4-tert-butylpiperazin-1-yl)-4-methylaniline
CID 69043764
2-(2-azaspiro[3.3]heptan-2-yl)-4-methylaniline
CID 112557833

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one (CID 112557829) is 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one is Cc1ccc(N)c(-n2c(C)cc(=O)cc2C)c1.
What is the InChIKey of 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one?
The InChIKey is XQXSVJPLVMAPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-4-5-13(15)14(6-9)16-10(2)7-12(17)8-11(16)3/h4-8H,15H2,1-3H3.
What are the key properties of 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one?
1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one has a molecular weight of 228.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methylphenyl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 112557829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).