3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile

C12H12N4S — CID 82816718

IUPAC3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2cccs2)c1N
InChIInChI=1S/C12H12N4S/c13-8-9-3-5-15-12(11(9)14)16-6-4-10-2-1-7-17-10/h1-3,5,7H,4,6,14H2,(H,15,16)
InChIKeyKPCZMUAONVMTDT-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.25
Rot. Bonds4

About 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile

3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile (PubChem CID 82816718) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
PubChem CID82816718
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCc2cccs2)c1N
InChIInChI=1S/C12H12N4S/c13-8-9-3-5-15-12(11(9)14)16-6-4-10-2-1-7-17-10/h1-3,5,7H,4,6,14H2,(H,15,16)
InChIKeyKPCZMUAONVMTDT-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-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-[2-(3-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816750
6-methyl-2-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 55207434
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
6-chloro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 23477636
3-amino-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 82816871
4-N-tert-butyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 22540400
3-amino-2-(2-thiomorpholin-4-ylethylamino)pyridine-4-carbonitrile
CID 114173737
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
3-amino-2-(2-ethoxyethylamino)pyridine-4-carbonitrile
CID 82816731

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile (CID 82816718) is 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCc2cccs2)c1N.
What is the InChIKey of 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile?
The InChIKey is KPCZMUAONVMTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-8-9-3-5-15-12(11(9)14)16-6-4-10-2-1-7-17-10/h1-3,5,7H,4,6,14H2,(H,15,16).
What are the key properties of 3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile?
3-amino-2-(2-thiophen-2-ylethylamino)pyridine-4-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-2-(2-thiophen-2-ylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82816718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).