2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile

C17H12N6O2S — CID 9114471

IUPAC2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCC(=O)N2CC(=O)Nc3ccccc32)nc1N
InChIInChI=1S/C17H12N6O2S/c18-6-10-5-11(7-19)17(22-16(10)20)26-9-15(25)23-8-14(24)21-12-3-1-2-4-13(12)23/h1-5H,8-9H2,(H2,20,22)(H,21,24)
InChIKeyMJLJICLSEVTBJG-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.48
Rot. Bonds3

About 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile

2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 9114471) has the molecular formula C17H12N6O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
PubChem CID9114471
Molecular FormulaC17H12N6O2S
Molecular Weight364.39 g/mol
Exact Mass364.07
IUPAC Name2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCC(=O)N2CC(=O)Nc3ccccc32)nc1N
InChIInChI=1S/C17H12N6O2S/c18-6-10-5-11(7-19)17(22-16(10)20)26-9-15(25)23-8-14(24)21-12-3-1-2-4-13(12)23/h1-5H,8-9H2,(H2,20,22)(H,21,24)
InChIKeyMJLJICLSEVTBJG-UHFFFAOYSA-N
XLogP1.48
TPSA135.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile (CID 9114471) is 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(SCC(=O)N2CC(=O)Nc3ccccc32)nc1N.
What is the InChIKey of 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is MJLJICLSEVTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2S/c18-6-10-5-11(7-19)17(22-16(10)20)26-9-15(25)23-8-14(24)21-12-3-1-2-4-13(12)23/h1-5H,8-9H2,(H2,20,22)(H,21,24).
What are the key properties of 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 364.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 9114471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).