(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine

C19H18N2O2 — CID 57340826

IUPAC(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine
SMILESCOc1ccc(/C=C2\C=CCN=C2c2cccnc2)c(OC)c1
InChIInChI=1S/C19H18N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3-9,11-13H,10H2,1-2H3/b15-11+
InChIKeyAWGVUJRRWUIIST-RVDMUPIBSA-N
MW306.37 g/mol
LogP3.54
Rot. Bonds4

About (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine (PubChem CID 57340826) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine.

Molecular Properties

Compound Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine
PubChem CID57340826
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine
SMILESCOc1ccc(/C=C2\C=CCN=C2c2cccnc2)c(OC)c1
InChIInChI=1S/C19H18N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3-9,11-13H,10H2,1-2H3/b15-11+
InChIKeyAWGVUJRRWUIIST-RVDMUPIBSA-N
XLogP3.54
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 5310985
CID 5310985
CID 11957947
CID 11957947
CID 11739408
CID 11739408
CID 135508231
CID 135508231
CID 735606
CID 735606
CID 135524501
CID 135524501
CID 6539771
CID 6539771
CID 6539772
CID 6539772
CID 6539798
CID 6539798
CID 6539799
CID 6539799
CID 6540049
CID 6540049
CID 6540057
CID 6540057

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine?
The IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine (CID 57340826) is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine.
What is the SMILES notation for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine?
The canonical SMILES for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine is COc1ccc(/C=C2\C=CCN=C2c2cccnc2)c(OC)c1.
What is the InChIKey of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine?
The InChIKey is AWGVUJRRWUIIST-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3-9,11-13H,10H2,1-2H3/b15-11+.
What are the key properties of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine?
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine has a molecular weight of 306.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-6-pyridin-3-yl-2H-pyridine is sourced from PubChem (CID 57340826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).