ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate

C16H14N2O3 — CID 1487454

IUPACethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1ccc(-c2ccccc2)c(C#N)c1=O
InChIInChI=1S/C16H14N2O3/c1-2-21-15(19)11-18-9-8-13(14(10-17)16(18)20)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3
InChIKeyJDVYWCSGLAGDAH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.95
Rot. Bonds4

About ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate

ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate (PubChem CID 1487454) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate
PubChem CID1487454
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1ccc(-c2ccccc2)c(C#N)c1=O
InChIInChI=1S/C16H14N2O3/c1-2-21-15(19)11-18-9-8-13(14(10-17)16(18)20)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3
InChIKeyJDVYWCSGLAGDAH-UHFFFAOYSA-N
XLogP1.95
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate (CID 1487454) is ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate is CCOC(=O)Cn1ccc(-c2ccccc2)c(C#N)c1=O.
What is the InChIKey of ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate?
The InChIKey is JDVYWCSGLAGDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-21-15(19)11-18-9-8-13(14(10-17)16(18)20)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3.
What are the key properties of ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate?
ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate has a molecular weight of 282.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-2-oxo-4-phenyl-1-pyridinyl)acetate is sourced from PubChem (CID 1487454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).