4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile

C21H14N4O2S — CID 11696711

IUPAC4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESCC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3ccc(O)cc3)c2C#N)cc1
InChIInChI=1S/C21H14N4O2S/c1-12(26)13-2-4-14(5-3-13)19-17(10-22)20(24)25-21(18(19)11-23)28-16-8-6-15(27)7-9-16/h2-9,27H,1H3,(H2,24,25)
InChIKeyCCNIUHOULFQSDA-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.13
Rot. Bonds4

About 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile

4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 11696711) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID11696711
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC Name4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESCC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3ccc(O)cc3)c2C#N)cc1
InChIInChI=1S/C21H14N4O2S/c1-12(26)13-2-4-14(5-3-13)19-17(10-22)20(24)25-21(18(19)11-23)28-16-8-6-15(27)7-9-16/h2-9,27H,1H3,(H2,24,25)
InChIKeyCCNIUHOULFQSDA-UHFFFAOYSA-N
XLogP4.13
TPSA123.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile (CID 11696711) is 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile is CC(=O)c1ccc(-c2c(C#N)c(N)nc(Sc3ccc(O)cc3)c2C#N)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is CCNIUHOULFQSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c1-12(26)13-2-4-14(5-3-13)19-17(10-22)20(24)25-21(18(19)11-23)28-16-8-6-15(27)7-9-16/h2-9,27H,1H3,(H2,24,25).
What are the key properties of 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 386.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-2-amino-6-(4-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11696711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).