3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C21H24N2O — CID 46702378

IUPAC3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCC(C)(C)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C21H24N2O/c1-21(2,3)24-19-10-8-16(9-11-19)14-17-6-5-13-23-20(17)18-7-4-12-22-15-18/h4,7-12,14-15H,5-6,13H2,1-3H3/b17-14+
InChIKeyYXQVTNNOZFLZBQ-SAPNQHFASA-N
MW320.44 g/mol
LogP4.93
Rot. Bonds3

About 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 46702378) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID46702378
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCC(C)(C)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1
InChIInChI=1S/C21H24N2O/c1-21(2,3)24-19-10-8-16(9-11-19)14-17-6-5-13-23-20(17)18-7-4-12-22-15-18/h4,7-12,14-15H,5-6,13H2,1-3H3/b17-14+
InChIKeyYXQVTNNOZFLZBQ-SAPNQHFASA-N
XLogP4.93
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 46702378) is 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is CC(C)(C)Oc1ccc(/C=C2\CCCN=C2c2cccnc2)cc1.
What is the InChIKey of 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is YXQVTNNOZFLZBQ-SAPNQHFASA-N. The full InChI is InChI=1S/C21H24N2O/c1-21(2,3)24-19-10-8-16(9-11-19)14-17-6-5-13-23-20(17)18-7-4-12-22-15-18/h4,7-12,14-15H,5-6,13H2,1-3H3/b17-14+.
What are the key properties of 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 320.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 46702378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).