5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile

C12H18N4 — CID 103469344

IUPAC5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
SMILESCCC(C)(C)CNc1ncc(C#N)cc1N
InChIInChI=1S/C12H18N4/c1-4-12(2,3)8-16-11-10(14)5-9(6-13)7-15-11/h5,7H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyKETNJMIGGXLLON-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.38
Rot. Bonds4

About 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile

5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile (PubChem CID 103469344) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
PubChem CID103469344
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
SMILESCCC(C)(C)CNc1ncc(C#N)cc1N
InChIInChI=1S/C12H18N4/c1-4-12(2,3)8-16-11-10(14)5-9(6-13)7-15-11/h5,7H,4,8,14H2,1-3H3,(H,15,16)
InChIKeyKETNJMIGGXLLON-UHFFFAOYSA-N
XLogP2.38
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(2,2-dimethylbutylamino)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

Related Compounds

5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
CID 106167287
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
5-amino-6-(2-methylsulfinylpropylamino)pyridine-3-carbonitrile
CID 103469139

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile (CID 103469344) is 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile is CCC(C)(C)CNc1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile?
The InChIKey is KETNJMIGGXLLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-12(2,3)8-16-11-10(14)5-9(6-13)7-15-11/h5,7H,4,8,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile?
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103469344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).