4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol

C23H23N3O2 — CID 135582041

IUPAC4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol
SMILESCNc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(NC)c3)n2)ccc1O
InChIInChI=1S/C23H23N3O2/c1-24-20-14-16(8-12-22(20)27)6-10-18-4-3-5-19(26-18)11-7-17-9-13-23(28)21(15-17)25-2/h3-15,24-25,27-28H,1-2H3/b10-6+,11-7+
InChIKeyNPXKPNXUXIPBFY-JMQWPVDRSA-N
MW373.46 g/mol
LogP4.92
Rot. Bonds6

About 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol

4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol (PubChem CID 135582041) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol.

Molecular Properties

Compound Name4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol
PubChem CID135582041
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol
SMILESCNc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(NC)c3)n2)ccc1O
InChIInChI=1S/C23H23N3O2/c1-24-20-14-16(8-12-22(20)27)6-10-18-4-3-5-19(26-18)11-7-17-9-13-23(28)21(15-17)25-2/h3-15,24-25,27-28H,1-2H3/b10-6+,11-7+
InChIKeyNPXKPNXUXIPBFY-JMQWPVDRSA-N
XLogP4.92
TPSA77.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol?
The IUPAC name of 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol (CID 135582041) is 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol.
What is the SMILES notation for 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol?
The canonical SMILES for 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol is CNc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(NC)c3)n2)ccc1O.
What is the InChIKey of 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol?
The InChIKey is NPXKPNXUXIPBFY-JMQWPVDRSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-24-20-14-16(8-12-22(20)27)6-10-18-4-3-5-19(26-18)11-7-17-9-13-23(28)21(15-17)25-2/h3-15,24-25,27-28H,1-2H3/b10-6+,11-7+.
What are the key properties of 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol?
4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol has a molecular weight of 373.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[(E)-2-[4-hydroxy-3-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-2-(methylamino)phenol is sourced from PubChem (CID 135582041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).