3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile

C12H17N3O — CID 79381926

IUPAC3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1cccnc1C#N)CC(C)(C)O
InChIInChI=1S/C12H17N3O/c1-12(2,16)9-15(3)8-10-5-4-6-14-11(10)7-13/h4-6,16H,8-9H2,1-3H3
InChIKeyNNARYGMOSDXUNV-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.16
Rot. Bonds4

About 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile

3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 79381926) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
PubChem CID79381926
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1cccnc1C#N)CC(C)(C)O
InChIInChI=1S/C12H17N3O/c1-12(2,16)9-15(3)8-10-5-4-6-14-11(10)7-13/h4-6,16H,8-9H2,1-3H3
InChIKeyNNARYGMOSDXUNV-UHFFFAOYSA-N
XLogP1.16
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62895109
3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921272
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62921108
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 115317894
3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62894133
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carbonitrile
CID 62920948
3-[(2-methylpropan-2-yl)oxymethyl]pyridine-2-carbonitrile
CID 62919079
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921449
3-(2-oxopropyl)pyridine-2-carbonitrile
CID 69171955
tert-butyl 2-(2-cyano-3-pyridinyl)acetate
CID 135394891
4-fluoro-3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]benzonitrile
CID 78927342

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile (CID 79381926) is 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile is CN(Cc1cccnc1C#N)CC(C)(C)O.
What is the InChIKey of 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is NNARYGMOSDXUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,16)9-15(3)8-10-5-4-6-14-11(10)7-13/h4-6,16H,8-9H2,1-3H3.
What are the key properties of 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile?
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 79381926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).