4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile

C21H16N2O — CID 167185408

IUPAC4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile
SMILESC=Cc1ccc(-c2ccc(C#N)cc2)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H16N2O/c1-3-18-10-13-20(16-6-4-15(14-22)5-7-16)21(23-18)17-8-11-19(24-2)12-9-17/h3-13H,1H2,2H3
InChIKeyMWDOLDXNCOJISR-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.94
Rot. Bonds4

About 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile

4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile (PubChem CID 167185408) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile
PubChem CID167185408
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile
SMILESC=Cc1ccc(-c2ccc(C#N)cc2)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C21H16N2O/c1-3-18-10-13-20(16-6-4-15(14-22)5-7-16)21(23-18)17-8-11-19(24-2)12-9-17/h3-13H,1H2,2H3
InChIKeyMWDOLDXNCOJISR-UHFFFAOYSA-N
XLogP4.94
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile 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

4-methoxy(13C)benzonitrile
CID 175991125
(E)-3-[5,6-bis(4-methoxyphenyl)-2-pyridinyl]prop-2-enoic acid
CID 69417219
4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile
CID 59562152
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
4-chloro-3-(4-methoxyphenyl)benzonitrile
CID 172914949
4-(2-ethenyl-3-formyl-4-methoxyphenyl)benzonitrile
CID 143402163
N-(4-cyanophenyl)-1-(4-methoxyphenyl)methanimine oxide
CID 139057561
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
4-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxybenzonitrile
CID 4226629
4-[(4-methoxyphenoxy)-methylphosphoryl]oxybenzonitrile
CID 10017840
2,6-bis(4-methoxyphenyl)pyrylium-4-carbonitrile
CID 5114383
6-chloro-5-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 86588577

Frequently Asked Questions

What is the IUPAC name of 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile (CID 167185408) is 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile is C=Cc1ccc(-c2ccc(C#N)cc2)c(-c2ccc(OC)cc2)n1.
What is the InChIKey of 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile?
The InChIKey is MWDOLDXNCOJISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-3-18-10-13-20(16-6-4-15(14-22)5-7-16)21(23-18)17-8-11-19(24-2)12-9-17/h3-13H,1H2,2H3.
What are the key properties of 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile?
4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile has a molecular weight of 312.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-ethenyl-2-(4-methoxyphenyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 167185408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).