2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile

C20H17N3S — CID 5230491

IUPAC2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
SMILESCSc1ccc(-c2cc(-c3ccccc3C)nc(N)c2C#N)cc1
InChIInChI=1S/C20H17N3S/c1-13-5-3-4-6-16(13)19-11-17(18(12-21)20(22)23-19)14-7-9-15(24-2)10-8-14/h3-11H,1-2H3,(H2,22,23)
InChIKeyOUYIWBCIEZJYPD-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.90
Rot. Bonds3

About 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile

2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile (PubChem CID 5230491) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
PubChem CID5230491
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC Name2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
SMILESCSc1ccc(-c2cc(-c3ccccc3C)nc(N)c2C#N)cc1
InChIInChI=1S/C20H17N3S/c1-13-5-3-4-6-16(13)19-11-17(18(12-21)20(22)23-19)14-7-9-15(24-2)10-8-14/h3-11H,1-2H3,(H2,22,23)
InChIKeyOUYIWBCIEZJYPD-UHFFFAOYSA-N
XLogP4.90
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile (CID 5230491) is 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile is CSc1ccc(-c2cc(-c3ccccc3C)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile?
The InChIKey is OUYIWBCIEZJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-13-5-3-4-6-16(13)19-11-17(18(12-21)20(22)23-19)14-7-9-15(24-2)10-8-14/h3-11H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile?
2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile has a molecular weight of 331.44 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5230491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).