4-(thiophen-3-ylamino)pyridine-2-carbonitrile

C10H7N3S — CID 66353511

IUPAC4-(thiophen-3-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2ccsc2)ccn1
InChIInChI=1S/C10H7N3S/c11-6-10-5-8(1-3-12-10)13-9-2-4-14-7-9/h1-5,7H,(H,12,13)
InChIKeyQOWSWVGXGVFJIJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP2.76
Rot. Bonds2

About 4-(thiophen-3-ylamino)pyridine-2-carbonitrile

4-(thiophen-3-ylamino)pyridine-2-carbonitrile (PubChem CID 66353511) has the molecular formula C10H7N3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-(thiophen-3-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(thiophen-3-ylamino)pyridine-2-carbonitrile
PubChem CID66353511
Molecular FormulaC10H7N3S
Molecular Weight201.25 g/mol
Exact Mass201.04
IUPAC Name4-(thiophen-3-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Nc2ccsc2)ccn1
InChIInChI=1S/C10H7N3S/c11-6-10-5-8(1-3-12-10)13-9-2-4-14-7-9/h1-5,7H,(H,12,13)
InChIKeyQOWSWVGXGVFJIJ-UHFFFAOYSA-N
XLogP2.76
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(thiophen-3-ylamino)pyridine-2-carbonitrile 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 4-(thiophen-3-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(thiophen-3-ylamino)pyridine-2-carbonitrile (CID 66353511) is 4-(thiophen-3-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(thiophen-3-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(thiophen-3-ylamino)pyridine-2-carbonitrile is N#Cc1cc(Nc2ccsc2)ccn1.
What is the InChIKey of 4-(thiophen-3-ylamino)pyridine-2-carbonitrile?
The InChIKey is QOWSWVGXGVFJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S/c11-6-10-5-8(1-3-12-10)13-9-2-4-14-7-9/h1-5,7H,(H,12,13).
What are the key properties of 4-(thiophen-3-ylamino)pyridine-2-carbonitrile?
4-(thiophen-3-ylamino)pyridine-2-carbonitrile has a molecular weight of 201.25 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-3-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 66353511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).