4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

C22H20N2O2 — CID 11702930

IUPAC4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
SMILESCOc1cc(/C=C/c2ccncc2)c(OC)cc1/C=C/c1ccncc1
InChIInChI=1S/C22H20N2O2/c1-25-21-15-20(6-4-18-9-13-24-14-10-18)22(26-2)16-19(21)5-3-17-7-11-23-12-8-17/h3-16H,1-2H3/b5-3+,6-4+
InChIKeyWFALDWLENYFTGS-GGWOSOGESA-N
MW344.41 g/mol
LogP4.83
Rot. Bonds6

About 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine

4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine (PubChem CID 11702930) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
PubChem CID11702930
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine
SMILESCOc1cc(/C=C/c2ccncc2)c(OC)cc1/C=C/c1ccncc1
InChIInChI=1S/C22H20N2O2/c1-25-21-15-20(6-4-18-9-13-24-14-10-18)22(26-2)16-19(21)5-3-17-7-11-23-12-8-17/h3-16H,1-2H3/b5-3+,6-4+
InChIKeyWFALDWLENYFTGS-GGWOSOGESA-N
XLogP4.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine (CID 11702930) is 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine is COc1cc(/C=C/c2ccncc2)c(OC)cc1/C=C/c1ccncc1.
What is the InChIKey of 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
The InChIKey is WFALDWLENYFTGS-GGWOSOGESA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-21-15-20(6-4-18-9-13-24-14-10-18)22(26-2)16-19(21)5-3-17-7-11-23-12-8-17/h3-16H,1-2H3/b5-3+,6-4+.
What are the key properties of 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine?
4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine has a molecular weight of 344.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[2,5-dimethoxy-4-[(E)-2-pyridin-4-ylethenyl]phenyl]ethenyl]pyridine is sourced from PubChem (CID 11702930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).