4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine

C17H14N2S — CID 70038300

IUPAC4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine
SMILESc1cncc(-c2ccc(-c3cnccc3C3CC3)s2)c1
InChIInChI=1S/C17H14N2S/c1-2-13(10-18-8-1)16-5-6-17(20-16)15-11-19-9-7-14(15)12-3-4-12/h1-2,5-12H,3-4H2
InChIKeyHNEOGETVDDIDQK-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.75
Rot. Bonds3

About 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine

4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine (PubChem CID 70038300) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine
PubChem CID70038300
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC Name4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine
SMILESc1cncc(-c2ccc(-c3cnccc3C3CC3)s2)c1
InChIInChI=1S/C17H14N2S/c1-2-13(10-18-8-1)16-5-6-17(20-16)15-11-19-9-7-14(15)12-3-4-12/h1-2,5-12H,3-4H2
InChIKeyHNEOGETVDDIDQK-UHFFFAOYSA-N
XLogP4.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine?
The IUPAC name of 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine (CID 70038300) is 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine.
What is the SMILES notation for 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine?
The canonical SMILES for 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine is c1cncc(-c2ccc(-c3cnccc3C3CC3)s2)c1.
What is the InChIKey of 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine?
The InChIKey is HNEOGETVDDIDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-2-13(10-18-8-1)16-5-6-17(20-16)15-11-19-9-7-14(15)12-3-4-12/h1-2,5-12H,3-4H2.
What are the key properties of 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine?
4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine has a molecular weight of 278.38 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(5-pyridin-3-ylthiophen-2-yl)pyridine is sourced from PubChem (CID 70038300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).