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

C14H11N5OS — CID 28622387

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccnc1
InChIInChI=1S/C14H11N5OS/c15-6-10-12(9-2-1-3-18-8-9)11(7-16)14(19-13(10)17)21-5-4-20/h1-3,8,20H,4-5H2,(H2,17,19)
InChIKeyZEJGBMJTWGELMY-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.55
Rot. Bonds4

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

2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile (PubChem CID 28622387) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
PubChem CID28622387
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccnc1
InChIInChI=1S/C14H11N5OS/c15-6-10-12(9-2-1-3-18-8-9)11(7-16)14(19-13(10)17)21-5-4-20/h1-3,8,20H,4-5H2,(H2,17,19)
InChIKeyZEJGBMJTWGELMY-UHFFFAOYSA-N
XLogP1.55
TPSA119.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile (CID 28622387) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccnc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile?
The InChIKey is ZEJGBMJTWGELMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c15-6-10-12(9-2-1-3-18-8-9)11(7-16)14(19-13(10)17)21-5-4-20/h1-3,8,20H,4-5H2,(H2,17,19).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile has a molecular weight of 297.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 28622387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).