3-amino-4-ethyl-1,6-dimethylpyridin-2-one

C9H14N2O — CID 123728838

IUPAC3-amino-4-ethyl-1,6-dimethylpyridin-2-one
SMILESCCc1cc(C)n(C)c(=O)c1N
InChIInChI=1S/C9H14N2O/c1-4-7-5-6(2)11(3)9(12)8(7)10/h5H,4,10H2,1-3H3
InChIKeyYOBRWKXJHWDOFL-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.84
Rot. Bonds1

About 3-amino-4-ethyl-1,6-dimethylpyridin-2-one

3-amino-4-ethyl-1,6-dimethylpyridin-2-one (PubChem CID 123728838) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-4-ethyl-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-amino-4-ethyl-1,6-dimethylpyridin-2-one
PubChem CID123728838
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-4-ethyl-1,6-dimethylpyridin-2-one
SMILESCCc1cc(C)n(C)c(=O)c1N
InChIInChI=1S/C9H14N2O/c1-4-7-5-6(2)11(3)9(12)8(7)10/h5H,4,10H2,1-3H3
InChIKeyYOBRWKXJHWDOFL-UHFFFAOYSA-N
XLogP0.84
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5-ethyl-6-methyl-1H-pyridin-2-one
CID 481022
3-Amino-4,6-dimethyl-1H-pyridin-2-one
CID 586681
1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
3-Amino-1-ethyl-5-(trifluoromethyl)pyridin-2-one
CID 84008555
3-Amino-1-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 164559844
N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetamide
CID 586682
2(1H)-Pyridinone, 1,4,6-trimethyl-
CID 586244
3-Amino-1-propyl-5-(trifluoromethyl)pyridin-2-one
CID 84008556
3-Amino-4,6-dimethyl-1-(trifluoromethyl)pyridin-2-one
CID 105458340
N-Methyl-2-ethyl-4-carbamoyl-6-pyridone
CID 129933506
1-(2-Aminoethyl)-6-methyl-4-(trifluoromethyl)pyridin-2-one
CID 132488946
1,4,5,6-Tetramethyl-2(1H)-pyridinone
CID 13433091

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-amino-4-ethyl-1,6-dimethylpyridin-2-one (CID 123728838) is 3-amino-4-ethyl-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-amino-4-ethyl-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-amino-4-ethyl-1,6-dimethylpyridin-2-one is CCc1cc(C)n(C)c(=O)c1N.
What is the InChIKey of 3-amino-4-ethyl-1,6-dimethylpyridin-2-one?
The InChIKey is YOBRWKXJHWDOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7-5-6(2)11(3)9(12)8(7)10/h5H,4,10H2,1-3H3.
What are the key properties of 3-amino-4-ethyl-1,6-dimethylpyridin-2-one?
3-amino-4-ethyl-1,6-dimethylpyridin-2-one has a molecular weight of 166.22 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 123728838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).