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

C17H18N2O3 — CID 646182

IUPAC[2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate
SMILESCC(=O)OC(C(=O)NCCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H18N2O3/c1-13(20)22-16(15-8-5-10-18-12-15)17(21)19-11-9-14-6-3-2-4-7-14/h2-8,10,12,16H,9,11H2,1H3,(H,19,21)
InChIKeyQWUISDIEEBSRRV-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.04
Rot. Bonds6

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

[2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate (PubChem CID 646182) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate
PubChem CID646182
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate
SMILESCC(=O)OC(C(=O)NCCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H18N2O3/c1-13(20)22-16(15-8-5-10-18-12-15)17(21)19-11-9-14-6-3-2-4-7-14/h2-8,10,12,16H,9,11H2,1H3,(H,19,21)
InChIKeyQWUISDIEEBSRRV-UHFFFAOYSA-N
XLogP2.04
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate (CID 646182) is [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate is CC(=O)OC(C(=O)NCCc1ccccc1)c1cccnc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate?
The InChIKey is QWUISDIEEBSRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13(20)22-16(15-8-5-10-18-12-15)17(21)19-11-9-14-6-3-2-4-7-14/h2-8,10,12,16H,9,11H2,1H3,(H,19,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate?
[2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate has a molecular weight of 298.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)-1-pyridin-3-ylethyl] acetate is sourced from PubChem (CID 646182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).