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

C15H12N4OS — CID 11369938

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccccc1
InChIInChI=1S/C15H12N4OS/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15(19-14(11)18)21-7-6-20/h1-5,20H,6-7H2,(H2,18,19)
InChIKeyYATXUBDWPZSLRT-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.16
Rot. Bonds4

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

2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 11369938) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID11369938
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccccc1
InChIInChI=1S/C15H12N4OS/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15(19-14(11)18)21-7-6-20/h1-5,20H,6-7H2,(H2,18,19)
InChIKeyYATXUBDWPZSLRT-UHFFFAOYSA-N
XLogP2.16
TPSA106.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile (CID 11369938) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is YATXUBDWPZSLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-8-11-13(10-4-2-1-3-5-10)12(9-17)15(19-14(11)18)21-7-6-20/h1-5,20H,6-7H2,(H2,18,19).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 296.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11369938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).