2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline

C25H27N3O2 — CID 16664222

IUPAC2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(OC)c3)n2)cc1OC
InChIInChI=1S/C25H27N3O2/c1-26-22-14-10-18(16-24(22)29-3)8-12-20-6-5-7-21(28-20)13-9-19-11-15-23(27-2)25(17-19)30-4/h5-17,26-27H,1-4H3/b12-8+,13-9+
InChIKeyXPSNWIYLVPDYFD-QHKWOANTSA-N
MW401.51 g/mol
LogP5.52
Rot. Bonds8

About 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline

2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline (PubChem CID 16664222) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline
PubChem CID16664222
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(OC)c3)n2)cc1OC
InChIInChI=1S/C25H27N3O2/c1-26-22-14-10-18(16-24(22)29-3)8-12-20-6-5-7-21(28-20)13-9-19-11-15-23(27-2)25(17-19)30-4/h5-17,26-27H,1-4H3/b12-8+,13-9+
InChIKeyXPSNWIYLVPDYFD-QHKWOANTSA-N
XLogP5.52
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline?
The IUPAC name of 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline (CID 16664222) is 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline.
What is the SMILES notation for 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline?
The canonical SMILES for 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(OC)c3)n2)cc1OC.
What is the InChIKey of 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline?
The InChIKey is XPSNWIYLVPDYFD-QHKWOANTSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-26-22-14-10-18(16-24(22)29-3)8-12-20-6-5-7-21(28-20)13-9-19-11-15-23(27-2)25(17-19)30-4/h5-17,26-27H,1-4H3/b12-8+,13-9+.
What are the key properties of 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline?
2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline has a molecular weight of 401.51 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-[6-[(E)-2-[3-methoxy-4-(methylamino)phenyl]ethenyl]-2-pyridinyl]ethenyl]-N-methylaniline is sourced from PubChem (CID 16664222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).