2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile

C13H19N3 — CID 81042476

IUPAC2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
SMILESCc1cc(NCCC(C)C)c(C#N)c(C)n1
InChIInChI=1S/C13H19N3/c1-9(2)5-6-15-13-7-10(3)16-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKeyKRBFQEYNTNSKIJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.03
Rot. Bonds4

About 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile

2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile (PubChem CID 81042476) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
PubChem CID81042476
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
SMILESCc1cc(NCCC(C)C)c(C#N)c(C)n1
InChIInChI=1S/C13H19N3/c1-9(2)5-6-15-13-7-10(3)16-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKeyKRBFQEYNTNSKIJ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396629
2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
CID 81061203
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060744
4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81061309
4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 104828350
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 81052464

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile (CID 81042476) is 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile is Cc1cc(NCCC(C)C)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile?
The InChIKey is KRBFQEYNTNSKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9(2)5-6-15-13-7-10(3)16-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile?
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 81042476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).