6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

C19H14N2OS — CID 733110

IUPAC6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1
InChIInChI=1S/C19H14N2OS/c1-22-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(23)21-18/h2-11H,1H3,(H,21,23)
InChIKeyNEFQNLIWROZBFD-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.96
Rot. Bonds3

About 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile

6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (PubChem CID 733110) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
PubChem CID733110
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1
InChIInChI=1S/C19H14N2OS/c1-22-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(23)21-18/h2-11H,1H3,(H,21,23)
InChIKeyNEFQNLIWROZBFD-UHFFFAOYSA-N
XLogP4.96
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile (CID 733110) is 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
The InChIKey is NEFQNLIWROZBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-22-15-9-7-14(8-10-15)18-11-16(13-5-3-2-4-6-13)17(12-20)19(23)21-18/h2-11H,1H3,(H,21,23).
What are the key properties of 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile?
6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile has a molecular weight of 318.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 733110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).