2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile

C13H19N3 — CID 61176862

IUPAC2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCC(C)N(C)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H19N3/c1-6-11(4)16(5)13-12(8-14)9(2)7-10(3)15-13/h7,11H,6H2,1-5H3
InChIKeyZOWJZDBJOBRIME-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.80
Rot. Bonds3

About 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile

2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 61176862) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID61176862
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCCC(C)N(C)c1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H19N3/c1-6-11(4)16(5)13-12(8-14)9(2)7-10(3)15-13/h7,11H,6H2,1-5H3
InChIKeyZOWJZDBJOBRIME-UHFFFAOYSA-N
XLogP2.80
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile (CID 61176862) is 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile is CCC(C)N(C)c1nc(C)cc(C)c1C#N.
What is the InChIKey of 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ZOWJZDBJOBRIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-6-11(4)16(5)13-12(8-14)9(2)7-10(3)15-13/h7,11H,6H2,1-5H3.
What are the key properties of 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile?
2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methyl)amino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 61176862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).