ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate

C16H14N2O3 — CID 1488301

IUPACethyl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate
SMILESCCOC(=O)CN1C(=CC=C(C1=O)C#N)C2=CC=CC=C2
InChIInChI=1S/C16H14N2O3/c1-2-21-15(19)11-18-14(12-6-4-3-5-7-12)9-8-13(10-17)16(18)20/h3-9H,2,11H2,1H3
InChIKeyISULTINSKSNJDE-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate

ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate (PubChem CID 1488301) has the molecular formula C16H14N2O3 and a molecular weight of 282.29 g/mol. Its IUPAC name is ethyl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate
PubChem CID1488301
Molecular FormulaC16H14N2O3
Molecular Weight282.29 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate
SMILESCCOC(=O)CN1C(=CC=C(C1=O)C#N)C2=CC=CC=C2
InChIInChI=1S/C16H14N2O3/c1-2-21-15(19)11-18-14(12-6-4-3-5-7-12)9-8-13(10-17)16(18)20/h3-9H,2,11H2,1H3
InChIKeyISULTINSKSNJDE-UHFFFAOYSA-N
XLogP2.20
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity533

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Cyano-2-oxo-6-p-tolyl-2H-pyridin-1-yl)-N,N-dimethyl-acetamide
CID 6488607
Ethyl 2-(3-cyano-4-(methylsulfanyl)-2-oxo-6-phenyl-1(2h)-pyridinyl)acetate
CID 1476675
1-Ethyl-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 1488311
ethyl 2-[3-cyano-2-oxo-4-phenyl-1(2H)-pyridinyl]acetate
CID 1487454
1-Allyl-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile
CID 1488306
Ethyl 2-[benzyl(2-cyanoethyl)amino]acetate
CID 11334085
2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
CID 6488608
Ethyl 2-[3-(benzylamino)-2-oxo-1-pyridinyl]acetate
CID 45273395
5-{[Benzyl(methyl)amino]methyl}-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 87054489
1,4-Diketo-2,5-di-(carboethoxymethyl)-3,6-diphenylpyrrolo-[3,4-c]-pyrrole
CID 20201053
Methyl 1-benzyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 118023640
Ethyl 2-(1-benzyl-6-oxopyridin-2-yl)-2,2-difluoroacetate
CID 153974201

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate (CID 1488301) is ethyl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate is CCOC(=O)CN1C(=CC=C(C1=O)C#N)C2=CC=CC=C2.
What is the InChIKey of ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate?
The InChIKey is ISULTINSKSNJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-21-15(19)11-18-14(12-6-4-3-5-7-12)9-8-13(10-17)16(18)20/h3-9H,2,11H2,1H3.
What are the key properties of ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate?
ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate has a molecular weight of 282.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-cyano-2-oxo-6-phenyl-1(2H)-pyridinyl]acetate is sourced from PubChem (CID 1488301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).