3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile

C12H12N4S — CID 103467331

IUPAC3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCc2cccs2)ccc1N
InChIInChI=1S/C12H12N4S/c13-8-11-10(14)3-4-12(16-11)15-6-5-9-2-1-7-17-9/h1-4,7H,5-6,14H2,(H,15,16)
InChIKeyUVZOXMHASCSSLD-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile

3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile (PubChem CID 103467331) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile
PubChem CID103467331
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1nc(NCCc2cccs2)ccc1N
InChIInChI=1S/C12H12N4S/c13-8-11-10(14)3-4-12(16-11)15-6-5-9-2-1-7-17-9/h1-4,7H,5-6,14H2,(H,15,16)
InChIKeyUVZOXMHASCSSLD-UHFFFAOYSA-N
XLogP2.25
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(2-thiophen-2-ylethoxy)pyridine-2-carbonitrile
CID 103469688
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092
3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 103469216
3-amino-6-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103468827
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
CID 82816718
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
6-(2-thiophen-2-ylethylamino)pyridazine-3-carboxamide
CID 79006069
N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 62481413
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile (CID 103467331) is 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile is N#Cc1nc(NCCc2cccs2)ccc1N.
What is the InChIKey of 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile?
The InChIKey is UVZOXMHASCSSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-8-11-10(14)3-4-12(16-11)15-6-5-9-2-1-7-17-9/h1-4,7H,5-6,14H2,(H,15,16).
What are the key properties of 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile?
3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile has a molecular weight of 244.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-thiophen-2-ylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 103467331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).