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

C22H20N2O2 — CID 68954650

IUPAC4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
SMILESCOc1cc(C=Cc2ccncc2)c(OC)cc1C=Cc1ccncc1
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
InChIKeyWFALDWLENYFTGS-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.83
Rot. Bonds6

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

4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine (PubChem CID 68954650) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine.

Molecular Properties

Compound Name4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
PubChem CID68954650
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine
SMILESCOc1cc(C=Cc2ccncc2)c(OC)cc1C=Cc1ccncc1
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
InChIKeyWFALDWLENYFTGS-UHFFFAOYSA-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-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The IUPAC name of 4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine (CID 68954650) is 4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine.
What is the SMILES notation for 4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The canonical SMILES for 4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine is COc1cc(C=Cc2ccncc2)c(OC)cc1C=Cc1ccncc1.
What is the InChIKey of 4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
The InChIKey is WFALDWLENYFTGS-UHFFFAOYSA-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.
What are the key properties of 4-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine?
4-[2-[2,5-dimethoxy-4-(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-[2-[2,5-dimethoxy-4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]pyridine is sourced from PubChem (CID 68954650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).