4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C18H14N2O4 — CID 931313

IUPAC4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccco3)[nH]c(=O)c2C#N)cc1OC
InChIInChI=1S/C18H14N2O4/c1-22-16-6-5-11(8-17(16)23-2)12-9-14(15-4-3-7-24-15)20-18(21)13(12)10-19/h3-9H,1-2H3,(H,20,21)
InChIKeySHJLOGXYOPUEKP-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.19
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 931313) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID931313
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccco3)[nH]c(=O)c2C#N)cc1OC
InChIInChI=1S/C18H14N2O4/c1-22-16-6-5-11(8-17(16)23-2)12-9-14(15-4-3-7-24-15)20-18(21)13(12)10-19/h3-9H,1-2H3,(H,20,21)
InChIKeySHJLOGXYOPUEKP-UHFFFAOYSA-N
XLogP3.19
TPSA88.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 931313) is 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccco3)[nH]c(=O)c2C#N)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SHJLOGXYOPUEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-22-16-6-5-11(8-17(16)23-2)12-9-14(15-4-3-7-24-15)20-18(21)13(12)10-19/h3-9H,1-2H3,(H,20,21).
What are the key properties of 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 322.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 931313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).