2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

C17H15N3O2 — CID 25208294

IUPAC2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc[nH]2)cc(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C17H15N3O2/c1-3-21-17-13(10-18)12(16-7-6-11(2)22-16)9-15(20-17)14-5-4-8-19-14/h4-9,19H,3H2,1-2H3
InChIKeyINHXPKMQPBUAPI-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.92
Rot. Bonds4

About 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 25208294) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID25208294
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccc[nH]2)cc(-c2ccc(C)o2)c1C#N
InChIInChI=1S/C17H15N3O2/c1-3-21-17-13(10-18)12(16-7-6-11(2)22-16)9-15(20-17)14-5-4-8-19-14/h4-9,19H,3H2,1-2H3
InChIKeyINHXPKMQPBUAPI-UHFFFAOYSA-N
XLogP3.92
TPSA74.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (CID 25208294) is 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is CCOc1nc(-c2ccc[nH]2)cc(-c2ccc(C)o2)c1C#N.
What is the InChIKey of 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is INHXPKMQPBUAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-3-21-17-13(10-18)12(16-7-6-11(2)22-16)9-15(20-17)14-5-4-8-19-14/h4-9,19H,3H2,1-2H3.
What are the key properties of 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(5-methylfuran-2-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 25208294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).