6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile

C21H16N2OS2 — CID 1347475

IUPAC6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1cccs1
InChIInChI=1S/C21H16N2OS2/c22-12-17-16(14-5-2-1-3-6-14)11-18(15-8-9-15)23-21(17)26-13-19(24)20-7-4-10-25-20/h1-7,10-11,15H,8-9,13H2
InChIKeyGFINWUIVKGIGFX-UHFFFAOYSA-N
MW376.51 g/mol
LogP5.53
Rot. Bonds6

About 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile

6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile (PubChem CID 1347475) has the molecular formula C21H16N2OS2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile
PubChem CID1347475
Molecular FormulaC21H16N2OS2
Molecular Weight376.51 g/mol
Exact Mass376.07
IUPAC Name6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1cccs1
InChIInChI=1S/C21H16N2OS2/c22-12-17-16(14-5-2-1-3-6-14)11-18(15-8-9-15)23-21(17)26-13-19(24)20-7-4-10-25-20/h1-7,10-11,15H,8-9,13H2
InChIKeyGFINWUIVKGIGFX-UHFFFAOYSA-N
XLogP5.53
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Y 29794
CID 195609
6-Cyclopropyl-4-(4-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
CID 2308471
6-Methyl-2-((2-oxo-2-phenylethyl)sulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 569520
2-{[2-(4-Methylphenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile
CID 690226
2-[(4-Methyl-2-quinolinyl)thio]-1-(2-thienyl)ethanone
CID 975240
[(3-Cyano-4-phenyl-6-thien-2-ylpyridin-2-yl)thio]acetic acid
CID 1266293
2-({2-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-2-oxoethyl}thio)-4,6-dimethylnicotinonitrile
CID 2132437
5-Ethyl-4,6-dimethyl-2-{[2-oxo-2-(2-thienyl)ethyl]thio}nicotinonitrile
CID 2306393
6-Cyclopropyl-4-(2-fluorophenyl)-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylpyridine-3-carbonitrile
CID 2307119
6-Cyclopropyl-2-(methylsulfanyl)-4-(2-thienyl)nicotinonitrile
CID 3244032
6-Cyclopropyl-2-ethylsulfanyl-4-thiophen-2-ylpyridine-3-carbonitrile
CID 4390626
4,6-Dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carbonitrile
CID 570011

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile (CID 1347475) is 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1cccs1.
What is the InChIKey of 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile?
The InChIKey is GFINWUIVKGIGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS2/c22-12-17-16(14-5-2-1-3-6-14)11-18(15-8-9-15)23-21(17)26-13-19(24)20-7-4-10-25-20/h1-7,10-11,15H,8-9,13H2.
What are the key properties of 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile?
6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile has a molecular weight of 376.51 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 1347475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).