6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

C23H18N2O2 — CID 127030596

IUPAC6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C23H18N2O2/c1-3-26-23-19(14-24)18(16-10-8-15(2)9-11-16)13-20(25-23)22-12-17-6-4-5-7-21(17)27-22/h4-13H,3H2,1-2H3
InChIKeyILHIYINUTNVHOM-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.74
Rot. Bonds4

About 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile

6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 127030596) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID127030596
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C23H18N2O2/c1-3-26-23-19(14-24)18(16-10-8-15(2)9-11-16)13-20(25-23)22-12-17-6-4-5-7-21(17)27-22/h4-13H,3H2,1-2H3
InChIKeyILHIYINUTNVHOM-UHFFFAOYSA-N
XLogP5.74
TPSA59.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-Amino-6-furan-2-yl-4-phenyl-nicotinonitrile
CID 24950370
3-[6-(Furan-2-yl)-4-phenyl-2-pyridinyl]phenol
CID 46887133
2-Amino-6-(5-methylfuran-2-yl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 661059
4-[2-(Furan-2-yl)-6-phenyl-4-pyridinyl]phenol
CID 135981250
2-Amino-6-(5-methyl-furan-2-yl)-4-phenyl-nicotinonitrile
CID 649080
6-(Furan-2-yl)-2-methylsulfanyl-4-phenylpyridine-3-carbonitrile
CID 657930
2-Amino-4-(4-methoxy-phenyl)-6-furan-2-yl-nicotinonitrile
CID 24950531
2-Amino-4-(3-methyl-phenyl)-6-furan-2-yl-nicotinonitrile
CID 24950690
2-(furan-2-yl)-4-phenyl-5H-chromeno[4,3-b]pyridine
CID 53361436
4-[2-(furan-2-yl)-5H-chromeno[4,3-b]pyridin-4-yl]phenol
CID 137133402
1-Benzoyl-6-[2-(dimethylamino)ethoxy]pyrrolo[1,2-a]quinoline-3-carbonitrile
CID 21892133
2-(furan-2-yl)-4-phenyl-5H-indeno[1,2-b]pyridine
CID 101884633

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile (CID 127030596) is 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is CCOc1nc(-c2cc3ccccc3o2)cc(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is ILHIYINUTNVHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-3-26-23-19(14-24)18(16-10-8-15(2)9-11-16)13-20(25-23)22-12-17-6-4-5-7-21(17)27-22/h4-13H,3H2,1-2H3.
What are the key properties of 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile?
6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-ethoxy-4-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 127030596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).