3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine

C18H16N2O2 — CID 10356987

IUPAC3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O2/c1-4-15(11-19-7-1)18-14(3-2-8-20-18)9-13-5-6-16-17(10-13)22-12-21-16/h1,4-7,9-11H,2-3,8,12H2/b14-9+
InChIKeyFRQDVFGAOKPUOR-NTEUORMPSA-N
MW292.34 g/mol
LogP3.48
Rot. Bonds2

About 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine

3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 10356987) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID10356987
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O2/c1-4-15(11-19-7-1)18-14(3-2-8-20-18)9-13-5-6-16-17(10-13)22-12-21-16/h1,4-7,9-11H,2-3,8,12H2/b14-9+
InChIKeyFRQDVFGAOKPUOR-NTEUORMPSA-N
XLogP3.48
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 10356987) is 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine is C(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCO2.
What is the InChIKey of 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is FRQDVFGAOKPUOR-NTEUORMPSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-4-15(11-19-7-1)18-14(3-2-8-20-18)9-13-5-6-16-17(10-13)22-12-21-16/h1,4-7,9-11H,2-3,8,12H2/b14-9+.
What are the key properties of 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 292.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 10356987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).