4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile

C22H18N2O — CID 82150701

IUPAC4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile
SMILESCc1cccc(/C=C/c2ccn(Cc3ccc(C#N)cc3)c(=O)c2)c1
InChIInChI=1S/C22H18N2O/c1-17-3-2-4-18(13-17)5-6-19-11-12-24(22(25)14-19)16-21-9-7-20(15-23)8-10-21/h2-14H,16H2,1H3/b6-5+
InChIKeyFSCULHSJMPENJX-AATRIKPKSA-N
MW326.40 g/mol
LogP4.25
Rot. Bonds4

About 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile

4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile (PubChem CID 82150701) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile
PubChem CID82150701
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile
SMILESCc1cccc(/C=C/c2ccn(Cc3ccc(C#N)cc3)c(=O)c2)c1
InChIInChI=1S/C22H18N2O/c1-17-3-2-4-18(13-17)5-6-19-11-12-24(22(25)14-19)16-21-9-7-20(15-23)8-10-21/h2-14H,16H2,1H3/b6-5+
InChIKeyFSCULHSJMPENJX-AATRIKPKSA-N
XLogP4.25
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-aminophenyl)methyl]-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 94758175
1-(3-aminopropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82063283
1-(3-hydroxypropyl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82150999
4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 94757606
1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
4-[(3-acetyl-2-methylpyrrol-1-yl)methyl]benzonitrile
CID 84616706
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
1-benzyl-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 22520187
4-[(4-chloro-6-oxopyrimidin-1-yl)methyl]benzonitrile
CID 114582271
1-(1-aminopropan-2-yl)-4-[(E)-2-(3-methylphenyl)ethenyl]pyridin-2-one
CID 82143926
1-ethyl-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 102133829
[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]boronic acid
CID 62962134

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile (CID 82150701) is 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile is Cc1cccc(/C=C/c2ccn(Cc3ccc(C#N)cc3)c(=O)c2)c1.
What is the InChIKey of 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile?
The InChIKey is FSCULHSJMPENJX-AATRIKPKSA-N. The full InChI is InChI=1S/C22H18N2O/c1-17-3-2-4-18(13-17)5-6-19-11-12-24(22(25)14-19)16-21-9-7-20(15-23)8-10-21/h2-14H,16H2,1H3/b6-5+.
What are the key properties of 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile?
4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile has a molecular weight of 326.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(E)-2-(3-methylphenyl)ethenyl]-2-oxo-1-pyridinyl]methyl]benzonitrile is sourced from PubChem (CID 82150701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).