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

C16H16N2OS — CID 134159697

IUPAC6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C16H16N2OS/c17-10-13-12(15-7-4-8-20-15)9-14(18-16(13)19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6H2,(H,18,19)
InChIKeyRDIJDCXNMSNHSQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.02
Rot. Bonds2

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

6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 134159697) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID134159697
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccs2)cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C16H16N2OS/c17-10-13-12(15-7-4-8-20-15)9-14(18-16(13)19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6H2,(H,18,19)
InChIKeyRDIJDCXNMSNHSQ-UHFFFAOYSA-N
XLogP4.02
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 134159697) is 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2cccs2)cc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is RDIJDCXNMSNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c17-10-13-12(15-7-4-8-20-15)9-14(18-16(13)19)11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6H2,(H,18,19).
What are the key properties of 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile?
6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 284.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 134159697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).