[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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Related Compounds

5-nitro-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 693996
(R)-N-(4-(tert-Butyl)phenyl)-N-(2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl)furan-2-carboxamide
CID 46897844
N-Methyl(5-(pyridin-3-YL)furan-2-YL)methanamine
CID 11229234
N-[2-(tert-butylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 44634772
N-(4-butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide
CID 3196508
5-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 903714
6-chloro-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 2090615
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2112149
[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2362869
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
CID 2714935
(2-Furylmethyl)(3-pyridinylmethyl)amine hydrochloride
CID 2815908

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).