3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

C21H24N2O2 — CID 46703035

IUPAC3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCOc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC(C)C)c1
InChIInChI=1S/C21H24N2O2/c1-15(2)25-20-13-19(24-3)9-8-16(20)12-17-6-5-11-23-21(17)18-7-4-10-22-14-18/h4,7-10,12-15H,5-6,11H2,1-3H3/b17-12+
InChIKeyVFPRCSZVPGGWFP-SFQUDFHCSA-N
MW336.44 g/mol
LogP4.54
Rot. Bonds5

About 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 46703035) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID46703035
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESCOc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC(C)C)c1
InChIInChI=1S/C21H24N2O2/c1-15(2)25-20-13-19(24-3)9-8-16(20)12-17-6-5-11-23-21(17)18-7-4-10-22-14-18/h4,7-10,12-15H,5-6,11H2,1-3H3/b17-12+
InChIKeyVFPRCSZVPGGWFP-SFQUDFHCSA-N
XLogP4.54
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 46703035) is 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is COc1ccc(/C=C2\CCCN=C2c2cccnc2)c(OC(C)C)c1.
What is the InChIKey of 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is VFPRCSZVPGGWFP-SFQUDFHCSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)25-20-13-19(24-3)9-8-16(20)12-17-6-5-11-23-21(17)18-7-4-10-22-14-18/h4,7-10,12-15H,5-6,11H2,1-3H3/b17-12+.
What are the key properties of 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 336.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-[(4-methoxy-2-propan-2-yloxyphenyl)methylidene]-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 46703035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).