6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile

C19H14N2S — CID 1476369

IUPAC6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile
SMILESCc1nc(Sc2ccccc2)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C19H14N2S/c1-14-18(15-8-4-2-5-9-15)12-16(13-20)19(21-14)22-17-10-6-3-7-11-17/h2-12H,1H3
InChIKeySGPJOMQRMNICCX-UHFFFAOYSA-N
MW302.40 g/mol
LogP5.08
Rot. Bonds3

About 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile

6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile (PubChem CID 1476369) has the molecular formula C19H14N2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile
PubChem CID1476369
Molecular FormulaC19H14N2S
Molecular Weight302.40 g/mol
Exact Mass302.09
IUPAC Name6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile
SMILESCc1nc(Sc2ccccc2)c(C#N)cc1-c1ccccc1
InChIInChI=1S/C19H14N2S/c1-14-18(15-8-4-2-5-9-15)12-16(13-20)19(21-14)22-17-10-6-3-7-11-17/h2-12H,1H3
InChIKeySGPJOMQRMNICCX-UHFFFAOYSA-N
XLogP5.08
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile (CID 1476369) is 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile is Cc1nc(Sc2ccccc2)c(C#N)cc1-c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile?
The InChIKey is SGPJOMQRMNICCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2S/c1-14-18(15-8-4-2-5-9-15)12-16(13-20)19(21-14)22-17-10-6-3-7-11-17/h2-12H,1H3.
What are the key properties of 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile?
6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile has a molecular weight of 302.40 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-2-phenylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 1476369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).