2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile

C13H19N3O — CID 79389955

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N(C)CC(C)(C)O)n1
InChIInChI=1S/C13H19N3O/c1-9-6-10(2)15-12(11(9)7-14)16(5)8-13(3,4)17/h6,17H,8H2,1-5H3
InChIKeyJUMAQVIGWGVGSD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.78
Rot. Bonds3

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 79389955) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID79389955
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N(C)CC(C)(C)O)n1
InChIInChI=1S/C13H19N3O/c1-9-6-10(2)15-12(11(9)7-14)16(5)8-13(3,4)17/h6,17H,8H2,1-5H3
InChIKeyJUMAQVIGWGVGSD-UHFFFAOYSA-N
XLogP1.78
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 79389955) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N(C)CC(C)(C)O)n1.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is JUMAQVIGWGVGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-10(2)15-12(11(9)7-14)16(5)8-13(3,4)17/h6,17H,8H2,1-5H3.
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 79389955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).