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

C15H9N3OS — CID 146048213

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

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

2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 146048213) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is 2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID146048213
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC Name2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)cc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C15H9N3OS/c16-9-12-11(10-3-5-17-6-4-10)8-13(18-15(12)19)14-2-1-7-20-14/h1-8H,(H,18,19)
InChIKeyNICUWEUJQHDWLO-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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Related Compounds

2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 13088650
4-(4-nitrophenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19656741
2-oxo-6-phenyl-4-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 134820680
2-oxo-6-thiophen-2-yl-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 19656842
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199
4-(4-bromo-5-ethylthiophen-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19657074
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 19657053
4-(4-tert-butylphenyl)-6-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19657131
4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656390
4-(5-methylthiophen-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656648
6-(5-methylthiophen-2-yl)-2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 19656861
4-(4-tert-butylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 628684

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 146048213) is 2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccncc2)cc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is NICUWEUJQHDWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c16-9-12-11(10-3-5-17-6-4-10)8-13(18-15(12)19)14-2-1-7-20-14/h1-8H,(H,18,19).
What are the key properties of 2-oxo-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
2-oxo-4-pyridin-4-yl-6-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-4-pyridin-4-yl-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 146048213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).