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

C20H14N4OS — CID 11588500

IUPAC2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C20H14N4OS/c21-10-16-18(14-7-4-8-15(25)9-14)17(11-22)20(24-19(16)23)26-12-13-5-2-1-3-6-13/h1-9,25H,12H2,(H2,23,24)
InChIKeyIZHZMJNWOPGIMO-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.07
Rot. Bonds4

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

2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 11588500) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID11588500
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C20H14N4OS/c21-10-16-18(14-7-4-8-15(25)9-14)17(11-22)20(24-19(16)23)26-12-13-5-2-1-3-6-13/h1-9,25H,12H2,(H2,23,24)
InChIKeyIZHZMJNWOPGIMO-UHFFFAOYSA-N
XLogP4.07
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Luf5831
CID 135494270
2-Amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 3130954
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
[6-Amino-3,5-dicyano-4-(4-hydroxy-phenyl)-pyridin-2-ylsulfanyl]-acetic acid methyl ester
CID 1830648
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-trifluoromethoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11314995
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-methoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11359310
2-Amino-4-(3-difluoromethoxy-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11451298
2-Amino-4-(4-difluoromethoxy-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11739950
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-trifluoromethoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11773400
2-Amino-6-((2-(4-fluorophenyl)-2-oxoethyl)thio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 4414643
2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 398162

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CID 11588500) is 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1cccc(O)c1.
What is the InChIKey of 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is IZHZMJNWOPGIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c21-10-16-18(14-7-4-8-15(25)9-14)17(11-22)20(24-19(16)23)26-12-13-5-2-1-3-6-13/h1-9,25H,12H2,(H2,23,24).
What are the key properties of 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 358.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzylsulfanyl-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11588500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).