3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one

C9H14N2O2 — CID 20667463

IUPAC3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(OC)c(N)c1=O
InChIInChI=1S/C9H14N2O2/c1-4-11-6(2)5-7(13-3)8(10)9(11)12/h5H,4,10H2,1-3H3
InChIKeyICHBOGOXZKOIFL-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.77
Rot. Bonds2

About 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one

3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one (PubChem CID 20667463) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one
PubChem CID20667463
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one
SMILESCCn1c(C)cc(OC)c(N)c1=O
InChIInChI=1S/C9H14N2O2/c1-4-11-6(2)5-7(13-3)8(10)9(11)12/h5H,4,10H2,1-3H3
InChIKeyICHBOGOXZKOIFL-UHFFFAOYSA-N
XLogP0.77
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one?
The IUPAC name of 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one (CID 20667463) is 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one.
What is the SMILES notation for 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one?
The canonical SMILES for 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one is CCn1c(C)cc(OC)c(N)c1=O.
What is the InChIKey of 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one?
The InChIKey is ICHBOGOXZKOIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-11-6(2)5-7(13-3)8(10)9(11)12/h5H,4,10H2,1-3H3.
What are the key properties of 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one?
3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-4-methoxy-6-methylpyridin-2-one is sourced from PubChem (CID 20667463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).