2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile

C13H19N3 — CID 103461768

IUPAC2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
SMILESCCC(C)(C)CNc1cc(C#N)cc(C)n1
InChIInChI=1S/C13H19N3/c1-5-13(3,4)9-15-12-7-11(8-14)6-10(2)16-12/h6-7H,5,9H2,1-4H3,(H,15,16)
InChIKeyDVBAJFMIKCELCY-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.11
Rot. Bonds4

About 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile

2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile (PubChem CID 103461768) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
PubChem CID103461768
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile
SMILESCCC(C)(C)CNc1cc(C#N)cc(C)n1
InChIInChI=1S/C13H19N3/c1-5-13(3,4)9-15-12-7-11(8-14)6-10(2)16-12/h6-7H,5,9H2,1-4H3,(H,15,16)
InChIKeyDVBAJFMIKCELCY-UHFFFAOYSA-N
XLogP3.11
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-6-methylpyridine-4-carbonitrile
CID 114765679
2-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-4-carbonitrile
CID 114766642
2-methyl-6-(pentylamino)pyridine-4-carbonitrile
CID 114765696
4-N-(2,2-dimethylbutyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 103466603
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
2-methyl-6-(2-methylbut-3-yn-2-ylamino)pyridine-4-carbonitrile
CID 114766321
5-amino-6-(2,2-dimethylbutylamino)pyridine-3-carbonitrile
CID 103469344
3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
2-methyl-6-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114766216
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
2-methyl-6-(3-pyrazol-1-ylpropylamino)pyridine-4-carbonitrile
CID 114766602
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile (CID 103461768) is 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile is CCC(C)(C)CNc1cc(C#N)cc(C)n1.
What is the InChIKey of 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile?
The InChIKey is DVBAJFMIKCELCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-13(3,4)9-15-12-7-11(8-14)6-10(2)16-12/h6-7H,5,9H2,1-4H3,(H,15,16).
What are the key properties of 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile?
2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutylamino)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 103461768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).