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

C20H17N3OS — CID 5120091

IUPAC2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(SC)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H17N3OS/c1-24-15-5-3-4-14(10-15)19-11-17(18(12-21)20(22)23-19)13-6-8-16(25-2)9-7-13/h3-11H,1-2H3,(H2,22,23)
InChIKeyRFPJTXRZLURGLQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.60
Rot. Bonds4

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

2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile (PubChem CID 5120091) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
PubChem CID5120091
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(SC)cc3)c(C#N)c(N)n2)c1
InChIInChI=1S/C20H17N3OS/c1-24-15-5-3-4-14(10-15)19-11-17(18(12-21)20(22)23-19)13-6-8-16(25-2)9-7-13/h3-11H,1-2H3,(H2,22,23)
InChIKeyRFPJTXRZLURGLQ-UHFFFAOYSA-N
XLogP4.60
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile (CID 5120091) is 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3ccc(SC)cc3)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile?
The InChIKey is RFPJTXRZLURGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-24-15-5-3-4-14(10-15)19-11-17(18(12-21)20(22)23-19)13-6-8-16(25-2)9-7-13/h3-11H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile?
2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile has a molecular weight of 347.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5120091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).