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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Related Compounds

2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5230351
2-amino-4-(3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230179
2-amino-4-(4-chloro-3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230669
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5120091
2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230485
2-amino-6-(2-fluorophenyl)-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5119728
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
2-amino-4-(2,4-dichlorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230671
2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230853
2-amino-6-(2,5-dimethylphenyl)-4-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 3506050

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).