6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile

C19H21N3S — CID 973730

IUPAC6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)nc1SCCN1CCCCC1
InChIInChI=1S/C19H21N3S/c20-15-17-9-10-18(16-7-3-1-4-8-16)21-19(17)23-14-13-22-11-5-2-6-12-22/h1,3-4,7-10H,2,5-6,11-14H2
InChIKeyRZVXJCXBDFJZAS-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.20
Rot. Bonds5

About 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile

6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 973730) has the molecular formula C19H21N3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
PubChem CID973730
Molecular FormulaC19H21N3S
Molecular Weight323.46 g/mol
Exact Mass323.15
IUPAC Name6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)nc1SCCN1CCCCC1
InChIInChI=1S/C19H21N3S/c20-15-17-9-10-18(16-7-3-1-4-8-16)21-19(17)23-14-13-22-11-5-2-6-12-22/h1,3-4,7-10H,2,5-6,11-14H2
InChIKeyRZVXJCXBDFJZAS-UHFFFAOYSA-N
XLogP4.20
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
6-phenyl-2-prop-2-enylsulfanylpyridine-3-carbonitrile
CID 2056242
6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile
CID 2216887
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
6-(4-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3133383
N-(4-chlorophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanamide
CID 23917223
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
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23889380
6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile
CID 46265751
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile
CID 845692
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 23833065

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile (CID 973730) is 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile is N#Cc1ccc(-c2ccccc2)nc1SCCN1CCCCC1.
What is the InChIKey of 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is RZVXJCXBDFJZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c20-15-17-9-10-18(16-7-3-1-4-8-16)21-19(17)23-14-13-22-11-5-2-6-12-22/h1,3-4,7-10H,2,5-6,11-14H2.
What are the key properties of 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 323.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 973730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).