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

C15H12N4O2S — CID 135494270

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(O)cc1
InChIInChI=1S/C15H12N4O2S/c16-7-11-13(9-1-3-10(21)4-2-9)12(8-17)15(19-14(11)18)22-6-5-20/h1-4,20-21H,5-6H2,(H2,18,19)
InChIKeyGYIHPWFWFRELQC-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.86
Rot. Bonds4

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

2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 135494270) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID135494270
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(O)cc1
InChIInChI=1S/C15H12N4O2S/c16-7-11-13(9-1-3-10(21)4-2-9)12(8-17)15(19-14(11)18)22-6-5-20/h1-4,20-21H,5-6H2,(H2,18,19)
InChIKeyGYIHPWFWFRELQC-UHFFFAOYSA-N
XLogP1.86
TPSA126.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-((6-Amino-3,5-dicyano-4-(4-(cyclopropylmethoxy)phenyl)-2-pyridinyl)thio)acetamide
CID 11717831
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-hydroxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11255409
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-methoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11255849
2-[[6-Amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide
CID 58739995
2-[[6-Amino-3,5-dicyano-4-[4-(2-methylpropoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 143294251
[6-Amino-3,5-dicyano-4-(4-hydroxy-phenyl)-pyridin-2-ylsulfanyl]-acetic acid methyl ester
CID 1830648
2-[6-Amino-4-(4-butoxyphenyl)-3,5-dicyanopyridin-2-yl]sulfanylacetamide
CID 658006
Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate
CID 659270
Butyl {[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetate
CID 659299
Butyl 2-[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]sulfanylacetate
CID 659844
Ethyl {[6-amino-3,5-dicyano-4-(4-ethoxyphenyl)pyridin-2-yl]thio}acetate
CID 3241330
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-trifluoromethoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11314995

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CID 135494270) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccc(O)cc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is GYIHPWFWFRELQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-7-11-13(9-1-3-10(21)4-2-9)12(8-17)15(19-14(11)18)22-6-5-20/h1-4,20-21H,5-6H2,(H2,18,19).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 312.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 135494270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).