1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone

C11H14N2O3 — CID 101024383

IUPAC1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(OCCN)cc(C(C)=O)n1
InChIInChI=1S/C11H14N2O3/c1-7(14)10-5-9(16-4-3-12)6-11(13-10)8(2)15/h5-6H,3-4,12H2,1-2H3
InChIKeyJOGJFQBCJDZLCZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.82
Rot. Bonds5

About 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone

1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone (PubChem CID 101024383) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone
PubChem CID101024383
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1cc(OCCN)cc(C(C)=O)n1
InChIInChI=1S/C11H14N2O3/c1-7(14)10-5-9(16-4-3-12)6-11(13-10)8(2)15/h5-6H,3-4,12H2,1-2H3
InChIKeyJOGJFQBCJDZLCZ-UHFFFAOYSA-N
XLogP0.82
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone (CID 101024383) is 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone is CC(=O)c1cc(OCCN)cc(C(C)=O)n1.
What is the InChIKey of 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone?
The InChIKey is JOGJFQBCJDZLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(14)10-5-9(16-4-3-12)6-11(13-10)8(2)15/h5-6H,3-4,12H2,1-2H3.
What are the key properties of 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone?
1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone has a molecular weight of 222.24 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 101024383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).