4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile

C12H15N3 — CID 81060746

IUPAC4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CCC2)c(C#N)c(C)n1
InChIInChI=1S/C12H15N3/c1-8-6-12(15-10-4-3-5-10)11(7-13)9(2)14-8/h6,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyXCXVBFLGAMHOLE-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.53
Rot. Bonds2

About 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile

4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060746) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060746
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CCC2)c(C#N)c(C)n1
InChIInChI=1S/C12H15N3/c1-8-6-12(15-10-4-3-5-10)11(7-13)9(2)14-8/h6,10H,3-5H2,1-2H3,(H,14,15)
InChIKeyXCXVBFLGAMHOLE-UHFFFAOYSA-N
XLogP2.53
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051795
4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051408
2,6-dimethyl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbonitrile
CID 81060660
4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052564
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
2,6-dimethyl-4-[(4-methylpiperazin-1-yl)amino]pyridine-3-carbonitrile
CID 83015551
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile
CID 81061136
4-(1-adamantylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060809
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
4-(cyclopentylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81059850
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
2,6-dimethyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
CID 81036499

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile (CID 81060746) is 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NC2CCC2)c(C#N)c(C)n1.
What is the InChIKey of 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is XCXVBFLGAMHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-6-12(15-10-4-3-5-10)11(7-13)9(2)14-8/h6,10H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile?
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).