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

C19H18N2O2 — CID 10407338

IUPAC3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O2/c1-4-16(13-20-7-1)19-15(3-2-8-21-19)11-14-5-6-17-18(12-14)23-10-9-22-17/h1,4-7,11-13H,2-3,8-10H2/b15-11+
InChIKeyWSEVASQSSFMRBE-RVDMUPIBSA-N
MW306.37 g/mol
LogP3.52
Rot. Bonds2

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

3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 10407338) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID10407338
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18N2O2/c1-4-16(13-20-7-1)19-15(3-2-8-21-19)11-14-5-6-17-18(12-14)23-10-9-22-17/h1,4-7,11-13H,2-3,8-10H2/b15-11+
InChIKeyWSEVASQSSFMRBE-RVDMUPIBSA-N
XLogP3.52
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 10407338) is 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine is C(=C1\CCCN=C1c1cccnc1)\c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is WSEVASQSSFMRBE-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-4-16(13-20-7-1)19-15(3-2-8-21-19)11-14-5-6-17-18(12-14)23-10-9-22-17/h1,4-7,11-13H,2-3,8-10H2/b15-11+.
What are the key properties of 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 306.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 10407338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).