3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile

C11H15N3O — CID 115360433

IUPAC3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
SMILESCC(C)(CO)CNc1cnccc1C#N
InChIInChI=1S/C11H15N3O/c1-11(2,8-15)7-14-10-6-13-4-3-9(10)5-12/h3-4,6,14-15H,7-8H2,1-2H3
InChIKeyQDJHNVPBOJZTTH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds4

About 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile

3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile (PubChem CID 115360433) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
PubChem CID115360433
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
SMILESCC(C)(CO)CNc1cnccc1C#N
InChIInChI=1S/C11H15N3O/c1-11(2,8-15)7-14-10-6-13-4-3-9(10)5-12/h3-4,6,14-15H,7-8H2,1-2H3
InChIKeyQDJHNVPBOJZTTH-UHFFFAOYSA-N
XLogP1.38
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452
2,2-dimethyl-3-[(3-methyl-4-pyridinyl)amino]propan-1-ol
CID 115360857
3-(isoquinolin-5-ylamino)-2,2-dimethylpropan-1-ol
CID 81413794
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
3-(furan-3-ylmethylamino)pyridine-4-carbonitrile
CID 115883748
3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 115883851
3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753
2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile (CID 115360433) is 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile is CC(C)(CO)CNc1cnccc1C#N.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile?
The InChIKey is QDJHNVPBOJZTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,8-15)7-14-10-6-13-4-3-9(10)5-12/h3-4,6,14-15H,7-8H2,1-2H3.
What are the key properties of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile?
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 115360433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).