3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile

C16H12ClN3OS — CID 133333994

IUPAC3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1nc(N(Cc2ccco2)Cc2cccs2)ccc1Cl
InChIInChI=1S/C16H12ClN3OS/c17-14-5-6-16(19-15(14)9-18)20(10-12-3-1-7-21-12)11-13-4-2-8-22-13/h1-8H,10-11H2
InChIKeyNGPDSUMFFUVGDT-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.47
Rot. Bonds5

About 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile

3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile (PubChem CID 133333994) has the molecular formula C16H12ClN3OS and a molecular weight of 329.81 g/mol. Its IUPAC name is 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
PubChem CID133333994
Molecular FormulaC16H12ClN3OS
Molecular Weight329.81 g/mol
Exact Mass329.04
IUPAC Name3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
SMILESN#Cc1nc(N(Cc2ccco2)Cc2cccs2)ccc1Cl
InChIInChI=1S/C16H12ClN3OS/c17-14-5-6-16(19-15(14)9-18)20(10-12-3-1-7-21-12)11-13-4-2-8-22-13/h1-8H,10-11H2
InChIKeyNGPDSUMFFUVGDT-UHFFFAOYSA-N
XLogP4.47
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]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 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile (CID 133333994) is 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile is N#Cc1nc(N(Cc2ccco2)Cc2cccs2)ccc1Cl.
What is the InChIKey of 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile?
The InChIKey is NGPDSUMFFUVGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS/c17-14-5-6-16(19-15(14)9-18)20(10-12-3-1-7-21-12)11-13-4-2-8-22-13/h1-8H,10-11H2.
What are the key properties of 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile?
3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile has a molecular weight of 329.81 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133333994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).