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

C13H19N3O — CID 103674836

IUPAC2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile
SMILESCC(C)(C)CC(O)CNc1ncccc1C#N
InChIInChI=1S/C13H19N3O/c1-13(2,3)7-11(17)9-16-12-10(8-14)5-4-6-15-12/h4-6,11,17H,7,9H2,1-3H3,(H,15,16)
InChIKeyGIRZDBPZFDLHGV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds4

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

2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile (PubChem CID 103674836) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile
PubChem CID103674836
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile
SMILESCC(C)(C)CC(O)CNc1ncccc1C#N
InChIInChI=1S/C13H19N3O/c1-13(2,3)7-11(17)9-16-12-10(8-14)5-4-6-15-12/h4-6,11,17H,7,9H2,1-3H3,(H,15,16)
InChIKeyGIRZDBPZFDLHGV-UHFFFAOYSA-N
XLogP2.16
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
1-(isoquinolin-1-ylamino)-4,4-dimethylpentan-2-ol
CID 107153199
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844
2-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]pyridine-3-carbonitrile
CID 94102559
2-[[(3-cyano-2-pyridinyl)amino]methyl]pentanoic acid
CID 65224477
2-(2-methylprop-2-enylamino)pyridine-3-carbonitrile
CID 114617287
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyrimidine-4-carbonitrile
CID 107552093
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-5-methylbenzonitrile
CID 107931329
2-[(2-methyl-2-methylsulfonylpropyl)amino]pyridine-3-carbonitrile
CID 79563043

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile (CID 103674836) is 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile is CC(C)(C)CC(O)CNc1ncccc1C#N.
What is the InChIKey of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile?
The InChIKey is GIRZDBPZFDLHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)7-11(17)9-16-12-10(8-14)5-4-6-15-12/h4-6,11,17H,7,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile?
2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103674836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).