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

C19H16N2O — CID 46837513

IUPAC3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1coc2ccccc12
InChIInChI=1S/C19H16N2O/c1-2-8-18-17(7-1)16(13-22-18)11-14-5-4-10-21-19(14)15-6-3-9-20-12-15/h1-3,6-9,11-13H,4-5,10H2/b14-11+
InChIKeyRSTHBSSYWMHIIJ-SDNWHVSQSA-N
MW288.35 g/mol
LogP4.49
Rot. Bonds2

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

3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 46837513) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID46837513
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1coc2ccccc12
InChIInChI=1S/C19H16N2O/c1-2-8-18-17(7-1)16(13-22-18)11-14-5-4-10-21-19(14)15-6-3-9-20-12-15/h1-3,6-9,11-13H,4-5,10H2/b14-11+
InChIKeyRSTHBSSYWMHIIJ-SDNWHVSQSA-N
XLogP4.49
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-o-Tolyloxy-ethyl)-1H-indol-3-yl]-ethanone
CID 951675
4-(2-Benzofuranyl)pyridine
CID 65590
Inicarone
CID 65811
2-Phenyl-3-pyridin-4-ylmethylene-chroman-4-one
CID 6116651
(3E)-2-phenyl-3-(pyridin-4-ylmethylidene)chromen-4-one
CID 44266353
4-(1-Benzofuran-5-yl)pyridin-2-amine
CID 155920136
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
1-[2-(2-methylphenoxy)ethyl]-1H-indole-3-carbaldehyde
CID 817595
1-{[(E)-Pyridin-4-ylmethylimino]-methyl}-6,7,8,9-tetrahydro-dibenzofuran-2-ol
CID 916087
(3E)-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 1551716
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 9684145
2-(4-Fluorophenyl)-3-(pyridin-4-yl)furan
CID 44572271

Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 46837513) is 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine is C(=C1\CCCN=C1c1cccnc1)\c1coc2ccccc12.
What is the InChIKey of 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is RSTHBSSYWMHIIJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-8-18-17(7-1)16(13-22-18)11-14-5-4-10-21-19(14)15-6-3-9-20-12-15/h1-3,6-9,11-13H,4-5,10H2/b14-11+.
What are the key properties of 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 288.35 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5E)-5-(1-benzofuran-3-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 46837513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).