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

C19H11ClN4OS — CID 24796393

IUPAC2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2O)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN4OS/c20-12-7-5-11(6-8-12)17-13(9-21)18(23)24-19(14(17)10-22)26-16-4-2-1-3-15(16)25/h1-8,25H,(H2,23,24)
InChIKeySJSIGCIEXXLDJS-UHFFFAOYSA-N
MW378.84 g/mol
LogP4.58
Rot. Bonds3

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

2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 24796393) has the molecular formula C19H11ClN4OS and a molecular weight of 378.84 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID24796393
Molecular FormulaC19H11ClN4OS
Molecular Weight378.84 g/mol
Exact Mass378.03
IUPAC Name2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2O)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN4OS/c20-12-7-5-11(6-8-12)17-13(9-21)18(23)24-19(14(17)10-22)26-16-4-2-1-3-15(16)25/h1-8,25H,(H2,23,24)
InChIKeySJSIGCIEXXLDJS-UHFFFAOYSA-N
XLogP4.58
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile (CID 24796393) is 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccccc2O)c(C#N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is SJSIGCIEXXLDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4OS/c20-12-7-5-11(6-8-12)17-13(9-21)18(23)24-19(14(17)10-22)26-16-4-2-1-3-15(16)25/h1-8,25H,(H2,23,24).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 378.84 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24796393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).