6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile

C22H18N2O — CID 170252554

IUPAC6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
SMILESCC(C)Cc1cccc2c1oc1c(-c3ccccn3)ccc(C#N)c12
InChIInChI=1S/C22H18N2O/c1-14(2)12-15-6-5-7-18-20-16(13-23)9-10-17(22(20)25-21(15)18)19-8-3-4-11-24-19/h3-11,14H,12H2,1-2H3
InChIKeyGECAGTLGPMDFKH-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.72
Rot. Bonds3

About 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile

6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile (PubChem CID 170252554) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
PubChem CID170252554
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile
SMILESCC(C)Cc1cccc2c1oc1c(-c3ccccn3)ccc(C#N)c12
InChIInChI=1S/C22H18N2O/c1-14(2)12-15-6-5-7-18-20-16(13-23)9-10-17(22(20)25-21(15)18)19-8-3-4-11-24-19/h3-11,14H,12H2,1-2H3
InChIKeyGECAGTLGPMDFKH-UHFFFAOYSA-N
XLogP5.72
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The IUPAC name of 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile (CID 170252554) is 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile.
What is the SMILES notation for 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The canonical SMILES for 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile is CC(C)Cc1cccc2c1oc1c(-c3ccccn3)ccc(C#N)c12.
What is the InChIKey of 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
The InChIKey is GECAGTLGPMDFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-14(2)12-15-6-5-7-18-20-16(13-23)9-10-17(22(20)25-21(15)18)19-8-3-4-11-24-19/h3-11,14H,12H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile?
6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile has a molecular weight of 326.40 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-pyridin-2-yldibenzofuran-1-carbonitrile is sourced from PubChem (CID 170252554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).