ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate

C20H16N2O4 — CID 2815325

IUPACethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C20H16N2O4/c1-2-24-19(23)13-26-20-16(12-21)15(18-9-6-10-25-18)11-17(22-20)14-7-4-3-5-8-14/h3-11H,2,13H2,1H3
InChIKeyCKVFYRQXZWHDBC-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.82
Rot. Bonds6

About ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate

ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate (PubChem CID 2815325) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate
PubChem CID2815325
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Nameethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C20H16N2O4/c1-2-24-19(23)13-26-20-16(12-21)15(18-9-6-10-25-18)11-17(22-20)14-7-4-3-5-8-14/h3-11H,2,13H2,1H3
InChIKeyCKVFYRQXZWHDBC-UHFFFAOYSA-N
XLogP3.82
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate with MolForge

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Related Compounds

2-Amino-4-(2-furyl)-6-phenylnicotinonitrile
CID 743242
Ethyl 2-{[6-(4-chlorophenyl)-3-cyano-4-(2-furyl)-2-pyridinyl]oxy}acetate
CID 2815322
Ethyl 2-{[3-cyano-4,6-di(2-furyl)-2-pyridinyl]oxy}acetate
CID 2816059
Ethyl 2-{[3-cyano-4-(2-furyl)-5,6-dihydrobenzo[h]quinolin-2-yl]oxy}acetate
CID 2816517
4,6-Dimethyl-2-(2-oxo-2-phenylethoxy)pyridine-3-carbonitrile
CID 661430
2-[2-(4-Methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 950785
Ethyl 2-(3-cyano-4,6-diphenyl-2-pyridyloxy)acetate
CID 2813721
Methyl 2-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]sulfanylacetate
CID 658573
8-(furan-3-yl)-3,3-dimethyl-6-(2-oxo-2-phenylethoxy)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 658700
Methyl 5-{[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]methyl}-2-furoate
CID 891684
4-(2-Furyl)-2-(2-oxo-2-phenylethoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 990374
4-(2-Furyl)-2-(2-oxopropoxy)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 2816518

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate (CID 2815325) is ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate is CCOC(=O)COc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N.
What is the InChIKey of ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate?
The InChIKey is CKVFYRQXZWHDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-2-24-19(23)13-26-20-16(12-21)15(18-9-6-10-25-18)11-17(22-20)14-7-4-3-5-8-14/h3-11H,2,13H2,1H3.
What are the key properties of ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate?
ethyl 2-[[3-cyano-4-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate has a molecular weight of 348.36 g/mol, XLogP of 3.82, 6 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-(furan-2-yl)-6-phenyl-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 2815325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).