5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline

C23H23N3O2 — CID 24785163

IUPAC5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline
SMILESCOc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N)c3)n2)cc1N
InChIInChI=1S/C23H23N3O2/c1-27-22-12-8-16(14-20(22)24)6-10-18-4-3-5-19(26-18)11-7-17-9-13-23(28-2)21(25)15-17/h3-15H,24-25H2,1-2H3/b10-6+,11-7+
InChIKeyNSHIFDQNTAKJHI-JMQWPVDRSA-N
MW373.46 g/mol
LogP4.60
Rot. Bonds6

About 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline

5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline (PubChem CID 24785163) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline
PubChem CID24785163
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline
SMILESCOc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N)c3)n2)cc1N
InChIInChI=1S/C23H23N3O2/c1-27-22-12-8-16(14-20(22)24)6-10-18-4-3-5-19(26-18)11-7-17-9-13-23(28-2)21(25)15-17/h3-15H,24-25H2,1-2H3/b10-6+,11-7+
InChIKeyNSHIFDQNTAKJHI-JMQWPVDRSA-N
XLogP4.60
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline?
The IUPAC name of 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline (CID 24785163) is 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline.
What is the SMILES notation for 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline?
The canonical SMILES for 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline is COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N)c3)n2)cc1N.
What is the InChIKey of 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline?
The InChIKey is NSHIFDQNTAKJHI-JMQWPVDRSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-27-22-12-8-16(14-20(22)24)6-10-18-4-3-5-19(26-18)11-7-17-9-13-23(28-2)21(25)15-17/h3-15H,24-25H2,1-2H3/b10-6+,11-7+.
What are the key properties of 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline?
5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline has a molecular weight of 373.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[6-[(E)-2-(3-amino-4-methoxyphenyl)ethenyl]-2-pyridinyl]ethenyl]-2-methoxyaniline is sourced from PubChem (CID 24785163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).