6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile

C20H16N2S — CID 2216887

IUPAC6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile
SMILESC[C@H](Sc1nc(-c2ccccc2)ccc1C#N)c1ccccc1
InChIInChI=1S/C20H16N2S/c1-15(16-8-4-2-5-9-16)23-20-18(14-21)12-13-19(22-20)17-10-6-3-7-11-17/h2-13,15H,1H3/t15-/m0/s1
InChIKeyIGLSGJNUJLTZTM-HNNXBMFYSA-N
MW316.43 g/mol
LogP5.47
Rot. Bonds4

About 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile

6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile (PubChem CID 2216887) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile
PubChem CID2216887
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile
SMILESC[C@H](Sc1nc(-c2ccccc2)ccc1C#N)c1ccccc1
InChIInChI=1S/C20H16N2S/c1-15(16-8-4-2-5-9-16)23-20-18(14-21)12-13-19(22-20)17-10-6-3-7-11-17/h2-13,15H,1H3/t15-/m0/s1
InChIKeyIGLSGJNUJLTZTM-HNNXBMFYSA-N
XLogP5.47
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
CID 791804
6-phenyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
CID 2056242
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 46265783
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 92870156
2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 53269793
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
CID 973730
(2S)-2-[(3-cyano-6-pyridin-3-yl-2-pyridinyl)sulfanyl]propanoic acid
CID 753316
6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile
CID 46265751
2-[[3-cyano-6-(3,4-dichlorophenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53269928
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile
CID 845692

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile (CID 2216887) is 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile is C[C@H](Sc1nc(-c2ccccc2)ccc1C#N)c1ccccc1.
What is the InChIKey of 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile?
The InChIKey is IGLSGJNUJLTZTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H16N2S/c1-15(16-8-4-2-5-9-16)23-20-18(14-21)12-13-19(22-20)17-10-6-3-7-11-17/h2-13,15H,1H3/t15-/m0/s1.
What are the key properties of 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile?
6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile has a molecular weight of 316.43 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2216887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).