2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile

C12H17N3 — CID 138475559

IUPAC2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
SMILESCc1cnc(NC(C)(C)C)c(C)c1C#N
InChIInChI=1S/C12H17N3/c1-8-7-14-11(15-12(3,4)5)9(2)10(8)6-13/h7H,1-5H3,(H,14,15)
InChIKeyGPLBPNJYYMYNMW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.78
Rot. Bonds1

About 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile

2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile (PubChem CID 138475559) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
PubChem CID138475559
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
SMILESCc1cnc(NC(C)(C)C)c(C)c1C#N
InChIInChI=1S/C12H17N3/c1-8-7-14-11(15-12(3,4)5)9(2)10(8)6-13/h7H,1-5H3,(H,14,15)
InChIKeyGPLBPNJYYMYNMW-UHFFFAOYSA-N
XLogP2.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylamino)-3,5-dimethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile?
The IUPAC name of 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile (CID 138475559) is 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile?
The canonical SMILES for 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile is Cc1cnc(NC(C)(C)C)c(C)c1C#N.
What is the InChIKey of 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile?
The InChIKey is GPLBPNJYYMYNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-7-14-11(15-12(3,4)5)9(2)10(8)6-13/h7H,1-5H3,(H,14,15).
What are the key properties of 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile?
2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile is sourced from PubChem (CID 138475559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).