[2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate

C14H14N2O4 — CID 655310

IUPAC[2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate
SMILESCC(=O)OC(C(=O)NCc1ccco1)c1cccnc1
InChIInChI=1S/C14H14N2O4/c1-10(17)20-13(11-4-2-6-15-8-11)14(18)16-9-12-5-3-7-19-12/h2-8,13H,9H2,1H3,(H,16,18)
InChIKeyFDEQNVNOLDKJGE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.60
Rot. Bonds5

About [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate

[2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate (PubChem CID 655310) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate
PubChem CID655310
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate
SMILESCC(=O)OC(C(=O)NCc1ccco1)c1cccnc1
InChIInChI=1S/C14H14N2O4/c1-10(17)20-13(11-4-2-6-15-8-11)14(18)16-9-12-5-3-7-19-12/h2-8,13H,9H2,1H3,(H,16,18)
InChIKeyFDEQNVNOLDKJGE-UHFFFAOYSA-N
XLogP1.60
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate (CID 655310) is [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate is CC(=O)OC(C(=O)NCc1ccco1)c1cccnc1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate?
The InChIKey is FDEQNVNOLDKJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10(17)20-13(11-4-2-6-15-8-11)14(18)16-9-12-5-3-7-19-12/h2-8,13H,9H2,1H3,(H,16,18).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate?
[2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate has a molecular weight of 274.28 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxo-1-pyridin-3-ylethyl] acetate is sourced from PubChem (CID 655310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).