4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile

C14H21N3 — CID 104828350

IUPAC4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC(C)C(C)(C)C)c(C#N)c(C)n1
InChIInChI=1S/C14H21N3/c1-9-7-13(12(8-15)10(2)16-9)17-11(3)14(4,5)6/h7,11H,1-6H3,(H,16,17)
InChIKeyXVCKAZNUGXLUDY-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.42
Rot. Bonds2

About 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile

4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 104828350) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID104828350
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC(C)C(C)(C)C)c(C#N)c(C)n1
InChIInChI=1S/C14H21N3/c1-9-7-13(12(8-15)10(2)16-9)17-11(3)14(4,5)6/h7,11H,1-6H3,(H,16,17)
InChIKeyXVCKAZNUGXLUDY-UHFFFAOYSA-N
XLogP3.42
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
CID 81061203
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
2,6-dimethyl-4-(1-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060922
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060744
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042486
2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 81061348
5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid
CID 82847005
4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396629
4-[(2-ethyl-2-methylsulfanylbutyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 103823147
2,6-dimethyl-4-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 81059921

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile (CID 104828350) is 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NC(C)C(C)(C)C)c(C#N)c(C)n1.
What is the InChIKey of 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is XVCKAZNUGXLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9-7-13(12(8-15)10(2)16-9)17-11(3)14(4,5)6/h7,11H,1-6H3,(H,16,17).
What are the key properties of 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile?
4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 104828350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).