2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate

C10H12N2O4 — CID 19758669

IUPAC2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1cncc(C(N)=O)c1
InChIInChI=1S/C10H12N2O4/c1-7(13)15-2-3-16-9-4-8(10(11)14)5-12-6-9/h4-6H,2-3H2,1H3,(H2,11,14)
InChIKeyHAPHYSMMMSMLEP-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.12
Rot. Bonds5

About 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate

2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate (PubChem CID 19758669) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate.

Molecular Properties

Compound Name2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate
PubChem CID19758669
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate
SMILESCC(=O)OCCOc1cncc(C(N)=O)c1
InChIInChI=1S/C10H12N2O4/c1-7(13)15-2-3-16-9-4-8(10(11)14)5-12-6-9/h4-6H,2-3H2,1H3,(H2,11,14)
InChIKeyHAPHYSMMMSMLEP-UHFFFAOYSA-N
XLogP0.12
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate?
The IUPAC name of 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate (CID 19758669) is 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate.
What is the SMILES notation for 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate?
The canonical SMILES for 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate is CC(=O)OCCOc1cncc(C(N)=O)c1.
What is the InChIKey of 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate?
The InChIKey is HAPHYSMMMSMLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7(13)15-2-3-16-9-4-8(10(11)14)5-12-6-9/h4-6H,2-3H2,1H3,(H2,11,14).
What are the key properties of 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate?
2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate has a molecular weight of 224.22 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-carbamoyl-3-pyridinyl)oxy]ethyl acetate is sourced from PubChem (CID 19758669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).