2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

C15H9N3OS — CID 13088650

IUPAC2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C15H9N3OS/c16-9-12-11(14-2-1-7-20-14)8-13(18-15(12)19)10-3-5-17-6-4-10/h1-8H,(H,18,19)
InChIKeyNLGLFIHPOZIREP-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.04
Rot. Bonds2

About 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile

2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 13088650) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID13088650
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC Name2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C15H9N3OS/c16-9-12-11(14-2-1-7-20-14)8-13(18-15(12)19)10-3-5-17-6-4-10/h1-8H,(H,18,19)
InChIKeyNLGLFIHPOZIREP-UHFFFAOYSA-N
XLogP3.04
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 13088650) is 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccs2)cc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is NLGLFIHPOZIREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c16-9-12-11(14-2-1-7-20-14)8-13(18-15(12)19)10-3-5-17-6-4-10/h1-8H,(H,18,19).
What are the key properties of 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 279.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 13088650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).