ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate

C17H16N2O3S — CID 1476675

IUPACethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)cc(SC)c(C#N)c1=O
InChIInChI=1S/C17H16N2O3S/c1-3-22-16(20)11-19-14(12-7-5-4-6-8-12)9-15(23-2)13(10-18)17(19)21/h4-9H,3,11H2,1-2H3
InChIKeyGYIHEQMZGFTYRU-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.67
Rot. Bonds5

About ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate

ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate (PubChem CID 1476675) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate
PubChem CID1476675
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Nameethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1c(-c2ccccc2)cc(SC)c(C#N)c1=O
InChIInChI=1S/C17H16N2O3S/c1-3-22-16(20)11-19-14(12-7-5-4-6-8-12)9-15(23-2)13(10-18)17(19)21/h4-9H,3,11H2,1-2H3
InChIKeyGYIHEQMZGFTYRU-UHFFFAOYSA-N
XLogP2.67
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate (CID 1476675) is ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate is CCOC(=O)Cn1c(-c2ccccc2)cc(SC)c(C#N)c1=O.
What is the InChIKey of ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate?
The InChIKey is GYIHEQMZGFTYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-22-16(20)11-19-14(12-7-5-4-6-8-12)9-15(23-2)13(10-18)17(19)21/h4-9H,3,11H2,1-2H3.
What are the key properties of ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate?
ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate has a molecular weight of 328.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-4-methylsulfanyl-2-oxo-6-phenyl-1-pyridinyl)acetate is sourced from PubChem (CID 1476675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).