2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile

C12H16N4 — CID 3064502

IUPAC2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile
SMILESN#Cc1c(NC2CCCCC2)ccnc1N
InChIInChI=1S/C12H16N4/c13-8-10-11(6-7-15-12(10)14)16-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H3,14,15,16)
InChIKeyXQHDQWVSSVBRDQ-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.28
Rot. Bonds2

About 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile

2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile (PubChem CID 3064502) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile
PubChem CID3064502
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile
SMILESN#Cc1c(NC2CCCCC2)ccnc1N
InChIInChI=1S/C12H16N4/c13-8-10-11(6-7-15-12(10)14)16-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H3,14,15,16)
InChIKeyXQHDQWVSSVBRDQ-UHFFFAOYSA-N
XLogP2.28
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(cyclohexylamino)pyridine-3-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 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile (CID 3064502) is 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile is N#Cc1c(NC2CCCCC2)ccnc1N.
What is the InChIKey of 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile?
The InChIKey is XQHDQWVSSVBRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-8-10-11(6-7-15-12(10)14)16-9-4-2-1-3-5-9/h6-7,9H,1-5H2,(H3,14,15,16).
What are the key properties of 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile?
2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyclohexylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 3064502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).