2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

C14H10N4OS — CID 4161738

IUPAC2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1
InChIInChI=1S/C14H10N4OS/c1-19-9-4-2-8(3-5-9)12-10(6-15)13(17)18-14(20)11(12)7-16/h2-5H,1H3,(H3,17,18,20)
InChIKeyZYLUJIUASPPJEP-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.75
Rot. Bonds2

About 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (PubChem CID 4161738) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
PubChem CID4161738
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1
InChIInChI=1S/C14H10N4OS/c1-19-9-4-2-8(3-5-9)12-10(6-15)13(17)18-14(20)11(12)7-16/h2-5H,1H3,(H3,17,18,20)
InChIKeyZYLUJIUASPPJEP-UHFFFAOYSA-N
XLogP2.75
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-amino-4-[4-(cyclopropylmethoxy)phenyl]-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CID 69051510
4-(2-amino-3,5-dicyano-6-sulfanylidene-1H-pyridin-4-yl)benzamide
CID 58739713
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CID 2268937
4-amino-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 11572440
4-(4-methoxyphenyl)-5-methylsulfonyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 97181607
6-(4-bromophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
CID 35212451
2-amino-4-[4-[(3R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]oxyphenyl]-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
CID 140560692
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
2-amino-4-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395911
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (CID 4161738) is 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is COc1ccc(-c2c(C#N)c(N)[nH]c(=S)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is ZYLUJIUASPPJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-19-9-4-2-8(3-5-9)12-10(6-15)13(17)18-14(20)11(12)7-16/h2-5H,1H3,(H3,17,18,20).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 282.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 4161738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).