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

C21H18N2O4 — CID 2815321

IUPACethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccc(C)cc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C21H18N2O4/c1-3-25-20(24)13-27-21-17(12-22)16(19-5-4-10-26-19)11-18(23-21)15-8-6-14(2)7-9-15/h4-11H,3,13H2,1-2H3
InChIKeyCSCDSVQZIZPDNU-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.13
Rot. Bonds6

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

ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate (PubChem CID 2815321) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate
PubChem CID2815321
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Nameethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate
SMILESCCOC(=O)COc1nc(-c2ccc(C)cc2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C21H18N2O4/c1-3-25-20(24)13-27-21-17(12-22)16(19-5-4-10-26-19)11-18(23-21)15-8-6-14(2)7-9-15/h4-11H,3,13H2,1-2H3
InChIKeyCSCDSVQZIZPDNU-UHFFFAOYSA-N
XLogP4.13
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.13
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-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate?
The IUPAC name of ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate (CID 2815321) is ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate?
The canonical SMILES for ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate is CCOC(=O)COc1nc(-c2ccc(C)cc2)cc(-c2ccco2)c1C#N.
What is the InChIKey of ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate?
The InChIKey is CSCDSVQZIZPDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-3-25-20(24)13-27-21-17(12-22)16(19-5-4-10-26-19)11-18(23-21)15-8-6-14(2)7-9-15/h4-11H,3,13H2,1-2H3.
What are the key properties of ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate?
ethyl 2-[[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-pyridinyl]oxy]acetate has a molecular weight of 362.39 g/mol, XLogP of 4.13, 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-(4-methylphenyl)-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 2815321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).