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

C19H12N4O2S — CID 24796794

IUPAC2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2cccc(O)c2)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C19H12N4O2S/c20-9-15-17(11-3-1-4-12(24)7-11)16(10-21)19(23-18(15)22)26-14-6-2-5-13(25)8-14/h1-8,24-25H,(H2,22,23)
InChIKeyCLUTVOSQRGUWPQ-UHFFFAOYSA-N
MW360.40 g/mol
LogP3.64
Rot. Bonds3

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

2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 24796794) has the molecular formula C19H12N4O2S and a molecular weight of 360.40 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID24796794
Molecular FormulaC19H12N4O2S
Molecular Weight360.40 g/mol
Exact Mass360.07
IUPAC Name2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2cccc(O)c2)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C19H12N4O2S/c20-9-15-17(11-3-1-4-12(24)7-11)16(10-21)19(23-18(15)22)26-14-6-2-5-13(25)8-14/h1-8,24-25H,(H2,22,23)
InChIKeyCLUTVOSQRGUWPQ-UHFFFAOYSA-N
XLogP3.64
TPSA126.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile (CID 24796794) is 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2cccc(O)c2)c(C#N)c1-c1cccc(O)c1.
What is the InChIKey of 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is CLUTVOSQRGUWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S/c20-9-15-17(11-3-1-4-12(24)7-11)16(10-21)19(23-18(15)22)26-14-6-2-5-13(25)8-14/h1-8,24-25H,(H2,22,23).
What are the key properties of 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 360.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxyphenyl)-6-(3-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24796794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).