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

C19H16N2S — CID 10339542

IUPAC3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1cc2ccccc2s1
InChIInChI=1S/C19H16N2S/c1-2-8-18-14(5-1)11-17(22-18)12-15-6-4-10-21-19(15)16-7-3-9-20-13-16/h1-3,5,7-9,11-13H,4,6,10H2/b15-12+
InChIKeyBKHCDKFRHXVELS-NTCAYCPXSA-N
MW304.42 g/mol
LogP4.96
Rot. Bonds2

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

3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine (PubChem CID 10339542) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine.

Molecular Properties

Compound Name3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
PubChem CID10339542
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine
SMILESC(=C1\CCCN=C1c1cccnc1)\c1cc2ccccc2s1
InChIInChI=1S/C19H16N2S/c1-2-8-18-14(5-1)11-17(22-18)12-15-6-4-10-21-19(15)16-7-3-9-20-13-16/h1-3,5,7-9,11-13H,4,6,10H2/b15-12+
InChIKeyBKHCDKFRHXVELS-NTCAYCPXSA-N
XLogP4.96
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The IUPAC name of 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine (CID 10339542) is 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine.
What is the SMILES notation for 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The canonical SMILES for 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine is C(=C1\CCCN=C1c1cccnc1)\c1cc2ccccc2s1.
What is the InChIKey of 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
The InChIKey is BKHCDKFRHXVELS-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H16N2S/c1-2-8-18-14(5-1)11-17(22-18)12-15-6-4-10-21-19(15)16-7-3-9-20-13-16/h1-3,5,7-9,11-13H,4,6,10H2/b15-12+.
What are the key properties of 3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine?
3-[(5E)-5-(1-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine has a molecular weight of 304.42 g/mol, XLogP of 4.96, 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-benzothiophen-2-ylmethylidene)-3,4-dihydro-2H-pyridin-6-yl]pyridine is sourced from PubChem (CID 10339542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).