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

C17H15N5OS2 — CID 75401882

IUPAC2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCC(=O)N2CCCC2c2cccs2)nc1N
InChIInChI=1S/C17H15N5OS2/c18-8-11-7-12(9-19)17(21-16(11)20)25-10-15(23)22-5-1-3-13(22)14-4-2-6-24-14/h2,4,6-7,13H,1,3,5,10H2,(H2,20,21)
InChIKeyHWVASXVZTCMRQG-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.92
Rot. Bonds4

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

2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 75401882) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
PubChem CID75401882
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(SCC(=O)N2CCCC2c2cccs2)nc1N
InChIInChI=1S/C17H15N5OS2/c18-8-11-7-12(9-19)17(21-16(11)20)25-10-15(23)22-5-1-3-13(22)14-4-2-6-24-14/h2,4,6-7,13H,1,3,5,10H2,(H2,20,21)
InChIKeyHWVASXVZTCMRQG-UHFFFAOYSA-N
XLogP2.92
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-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

Related Compounds

2-(4-nitrophenyl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51152877
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 43299583
2-(4-phenylphthalazin-1-yl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 43027830
2-pyridin-2-ylsulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 47110609
2-quinolin-2-ylsulfanyl-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 40791024
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 17460219
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 31959986
2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 43027824
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51188521
2-(1-methylimidazol-2-yl)sulfanyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51188448
2-(3-aminopropylsulfanyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 66219547
4-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]benzonitrile
CID 17435386

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile (CID 75401882) is 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(SCC(=O)N2CCCC2c2cccs2)nc1N.
What is the InChIKey of 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is HWVASXVZTCMRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c18-8-11-7-12(9-19)17(21-16(11)20)25-10-15(23)22-5-1-3-13(22)14-4-2-6-24-14/h2,4,6-7,13H,1,3,5,10H2,(H2,20,21).
What are the key properties of 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile?
2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 369.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 75401882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).