5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile

C20H16N2O — CID 164620189

IUPAC5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile
SMILESCc1cc(-c2ccco2)cc(C)c1/C=C/c1cncc(C#N)c1
InChIInChI=1S/C20H16N2O/c1-14-8-18(20-4-3-7-23-20)9-15(2)19(14)6-5-16-10-17(11-21)13-22-12-16/h3-10,12-13H,1-2H3/b6-5+
InChIKeyNWVZCEDYNALSPP-AATRIKPKSA-N
MW300.36 g/mol
LogP5.00
Rot. Bonds3

About 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile

5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile (PubChem CID 164620189) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile
PubChem CID164620189
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile
SMILESCc1cc(-c2ccco2)cc(C)c1/C=C/c1cncc(C#N)c1
InChIInChI=1S/C20H16N2O/c1-14-8-18(20-4-3-7-23-20)9-15(2)19(14)6-5-16-10-17(11-21)13-22-12-16/h3-10,12-13H,1-2H3/b6-5+
InChIKeyNWVZCEDYNALSPP-AATRIKPKSA-N
XLogP5.00
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile (CID 164620189) is 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile is Cc1cc(-c2ccco2)cc(C)c1/C=C/c1cncc(C#N)c1.
What is the InChIKey of 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile?
The InChIKey is NWVZCEDYNALSPP-AATRIKPKSA-N. The full InChI is InChI=1S/C20H16N2O/c1-14-8-18(20-4-3-7-23-20)9-15(2)19(14)6-5-16-10-17(11-21)13-22-12-16/h3-10,12-13H,1-2H3/b6-5+.
What are the key properties of 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile?
5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-(furan-2-yl)-2,6-dimethylphenyl]ethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 164620189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).