1-amino-3-ethoxy-2-methylpyridin-4-one

C8H12N2O2 — CID 68976232

IUPAC1-amino-3-ethoxy-2-methylpyridin-4-one
SMILESCCOc1c(C)n(N)ccc1=O
InChIInChI=1S/C8H12N2O2/c1-3-12-8-6(2)10(9)5-4-7(8)11/h4-5H,3,9H2,1-2H3
InChIKeyAHCRYLTWKJPRAG-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.27
Rot. Bonds2

About 1-amino-3-ethoxy-2-methylpyridin-4-one

1-amino-3-ethoxy-2-methylpyridin-4-one (PubChem CID 68976232) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2-methylpyridin-4-one.

Molecular Properties

Compound Name1-amino-3-ethoxy-2-methylpyridin-4-one
PubChem CID68976232
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-amino-3-ethoxy-2-methylpyridin-4-one
SMILESCCOc1c(C)n(N)ccc1=O
InChIInChI=1S/C8H12N2O2/c1-3-12-8-6(2)10(9)5-4-7(8)11/h4-5H,3,9H2,1-2H3
InChIKeyAHCRYLTWKJPRAG-UHFFFAOYSA-N
XLogP0.27
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2-methylpyridin-4-one?
The IUPAC name of 1-amino-3-ethoxy-2-methylpyridin-4-one (CID 68976232) is 1-amino-3-ethoxy-2-methylpyridin-4-one.
What is the SMILES notation for 1-amino-3-ethoxy-2-methylpyridin-4-one?
The canonical SMILES for 1-amino-3-ethoxy-2-methylpyridin-4-one is CCOc1c(C)n(N)ccc1=O.
What is the InChIKey of 1-amino-3-ethoxy-2-methylpyridin-4-one?
The InChIKey is AHCRYLTWKJPRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-8-6(2)10(9)5-4-7(8)11/h4-5H,3,9H2,1-2H3.
What are the key properties of 1-amino-3-ethoxy-2-methylpyridin-4-one?
1-amino-3-ethoxy-2-methylpyridin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2-methylpyridin-4-one is sourced from PubChem (CID 68976232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).