3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile

C9H12N4 — CID 82817119

IUPAC3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(C)Nc1nccc(C#N)c1N
InChIInChI=1S/C9H12N4/c1-6(2)13-9-8(11)7(5-10)3-4-12-9/h3-4,6H,11H2,1-2H3,(H,12,13)
InChIKeyNJAJKAGRLFQCIG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.36
Rot. Bonds2

About 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile

3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile (PubChem CID 82817119) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
PubChem CID82817119
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile
SMILESCC(C)Nc1nccc(C#N)c1N
InChIInChI=1S/C9H12N4/c1-6(2)13-9-8(11)7(5-10)3-4-12-9/h3-4,6H,11H2,1-2H3,(H,12,13)
InChIKeyNJAJKAGRLFQCIG-UHFFFAOYSA-N
XLogP1.36
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(1-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82813264
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636
3-amino-2-[1-(furan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 82817603
3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82816660
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
3-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]pyridine-4-carbonitrile
CID 82817357
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
3-(propan-2-ylamino)pyridazine-4-carbonitrile
CID 14042730
3-amino-2-(3-propan-2-ylanilino)pyridine-4-carbonitrile
CID 82817363
3-amino-2-(3-fluoropropylamino)pyridine-4-carbonitrile
CID 130503947

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile (CID 82817119) is 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile is CC(C)Nc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile?
The InChIKey is NJAJKAGRLFQCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6(2)13-9-8(11)7(5-10)3-4-12-9/h3-4,6H,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile?
3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(propan-2-ylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82817119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).