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

C13H20N4 — CID 103468967

IUPAC5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
SMILESCC(CNc1ncc(C#N)cc1N)C(C)(C)C
InChIInChI=1S/C13H20N4/c1-9(13(2,3)4)7-16-12-11(15)5-10(6-14)8-17-12/h5,8-9H,7,15H2,1-4H3,(H,16,17)
InChIKeyBPTRVVTZDUTARM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.63
Rot. Bonds3

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

5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile (PubChem CID 103468967) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
PubChem CID103468967
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
SMILESCC(CNc1ncc(C#N)cc1N)C(C)(C)C
InChIInChI=1S/C13H20N4/c1-9(13(2,3)4)7-16-12-11(15)5-10(6-14)8-17-12/h5,8-9H,7,15H2,1-4H3,(H,16,17)
InChIKeyBPTRVVTZDUTARM-UHFFFAOYSA-N
XLogP2.63
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-(2,3,3-trimethylbutylamino)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-methylsulfinylpropylamino)pyridine-3-carbonitrile
CID 103469139
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
5-amino-6-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 103467321
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
5-amino-6-(2-ethoxyethylamino)pyridine-3-carbonitrile
CID 103467671
5-amino-6-[(2,2-difluoro-3-hydroxypropyl)amino]pyridine-3-carbonitrile
CID 106167287
5-amino-6-(cyclobutylmethylamino)pyridine-3-carbonitrile
CID 103467531
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 103468425
5-amino-6-(cyclohexylmethylamino)pyridine-3-carbonitrile
CID 103467539

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile (CID 103468967) is 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile is CC(CNc1ncc(C#N)cc1N)C(C)(C)C.
What is the InChIKey of 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile?
The InChIKey is BPTRVVTZDUTARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(13(2,3)4)7-16-12-11(15)5-10(6-14)8-17-12/h5,8-9H,7,15H2,1-4H3,(H,16,17).
What are the key properties of 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile?
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 103468967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).