2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine

C14H15N3O — CID 22607234

IUPAC2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine
SMILESNCCOc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C14H15N3O/c15-5-8-18-14-9-13(10-17-11-14)2-1-12-3-6-16-7-4-12/h1-4,6-7,9-11H,5,8,15H2/b2-1+
InChIKeyZMBDLCDLIZXFHY-OWOJBTEDSA-N
MW241.29 g/mol
LogP1.98
Rot. Bonds5

About 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine

2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine (PubChem CID 22607234) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine
PubChem CID22607234
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine
SMILESNCCOc1cncc(/C=C/c2ccncc2)c1
InChIInChI=1S/C14H15N3O/c15-5-8-18-14-9-13(10-17-11-14)2-1-12-3-6-16-7-4-12/h1-4,6-7,9-11H,5,8,15H2/b2-1+
InChIKeyZMBDLCDLIZXFHY-OWOJBTEDSA-N
XLogP1.98
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine (CID 22607234) is 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine is NCCOc1cncc(/C=C/c2ccncc2)c1.
What is the InChIKey of 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine?
The InChIKey is ZMBDLCDLIZXFHY-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H15N3O/c15-5-8-18-14-9-13(10-17-11-14)2-1-12-3-6-16-7-4-12/h1-4,6-7,9-11H,5,8,15H2/b2-1+.
What are the key properties of 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine?
2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine has a molecular weight of 241.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 22607234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).