1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate

C9H12N2O3 — CID 174390242

IUPAC1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate
SMILESCC(=O)OC(C)n1cccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-6(14-7(2)12)11-5-3-4-8(10)9(11)13/h3-6H,10H2,1-2H3
InChIKeyDFESKUZHBMSFFW-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.51
Rot. Bonds2

About 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate

1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate (PubChem CID 174390242) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate.

Molecular Properties

Compound Name1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate
PubChem CID174390242
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate
SMILESCC(=O)OC(C)n1cccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-6(14-7(2)12)11-5-3-4-8(10)9(11)13/h3-6H,10H2,1-2H3
InChIKeyDFESKUZHBMSFFW-UHFFFAOYSA-N
XLogP0.51
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate?
The IUPAC name of 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate (CID 174390242) is 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate.
What is the SMILES notation for 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate?
The canonical SMILES for 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate is CC(=O)OC(C)n1cccc(N)c1=O.
What is the InChIKey of 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate?
The InChIKey is DFESKUZHBMSFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6(14-7(2)12)11-5-3-4-8(10)9(11)13/h3-6H,10H2,1-2H3.
What are the key properties of 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate?
1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate has a molecular weight of 196.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-oxo-1-pyridinyl)ethyl acetate is sourced from PubChem (CID 174390242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).