3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine

C22H22N2S — CID 57217093

IUPAC3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine
SMILESC1=C(c2cccs2)CCN(CCc2cncc(-c3ccccc3)c2)C1
InChIInChI=1S/C22H22N2S/c1-2-5-19(6-3-1)21-15-18(16-23-17-21)8-11-24-12-9-20(10-13-24)22-7-4-14-25-22/h1-7,9,14-17H,8,10-13H2
InChIKeyQVUVCHQZEZOJOD-UHFFFAOYSA-N
MW346.50 g/mol
LogP5.14
Rot. Bonds5

About 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine

3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine (PubChem CID 57217093) has the molecular formula C22H22N2S and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine
PubChem CID57217093
Molecular FormulaC22H22N2S
Molecular Weight346.50 g/mol
Exact Mass346.15
IUPAC Name3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine
SMILESC1=C(c2cccs2)CCN(CCc2cncc(-c3ccccc3)c2)C1
InChIInChI=1S/C22H22N2S/c1-2-5-19(6-3-1)21-15-18(16-23-17-21)8-11-24-12-9-20(10-13-24)22-7-4-14-25-22/h1-7,9,14-17H,8,10-13H2
InChIKeyQVUVCHQZEZOJOD-UHFFFAOYSA-N
XLogP5.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine?
The IUPAC name of 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine (CID 57217093) is 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine.
What is the SMILES notation for 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine?
The canonical SMILES for 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine is C1=C(c2cccs2)CCN(CCc2cncc(-c3ccccc3)c2)C1.
What is the InChIKey of 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine?
The InChIKey is QVUVCHQZEZOJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2S/c1-2-5-19(6-3-1)21-15-18(16-23-17-21)8-11-24-12-9-20(10-13-24)22-7-4-14-25-22/h1-7,9,14-17H,8,10-13H2.
What are the key properties of 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine?
3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine has a molecular weight of 346.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[2-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyridine is sourced from PubChem (CID 57217093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).