2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile

C13H19N3O — CID 113412332

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile
SMILESCCC(C)(CCO)Nc1nccc(C)c1C#N
InChIInChI=1S/C13H19N3O/c1-4-13(3,6-8-17)16-12-11(9-14)10(2)5-7-15-12/h5,7,17H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyGPVKPRIUHLXTST-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds5

About 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile (PubChem CID 113412332) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile
PubChem CID113412332
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile
SMILESCCC(C)(CCO)Nc1nccc(C)c1C#N
InChIInChI=1S/C13H19N3O/c1-4-13(3,6-8-17)16-12-11(9-14)10(2)5-7-15-12/h5,7,17H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyGPVKPRIUHLXTST-UHFFFAOYSA-N
XLogP2.22
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
CID 113283263
3-methyl-3-(thieno[3,2-c]pyridin-4-ylamino)pentan-1-ol
CID 106171144
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
3-[(7-methoxyisoquinolin-1-yl)amino]-3-methylpentan-1-ol
CID 106171338
3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103768344
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
3-([1,3]dioxolo[4,5-g]isoquinolin-5-ylamino)-3-methylpentan-1-ol
CID 106171503
2-fluoro-6-[(1-hydroxy-3-methylpentan-3-yl)amino]benzonitrile
CID 103768337
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-4-methylpyridine-3-carbonitrile
CID 115455046
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103768343
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile (CID 113412332) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile is CCC(C)(CCO)Nc1nccc(C)c1C#N.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile?
The InChIKey is GPVKPRIUHLXTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-13(3,6-8-17)16-12-11(9-14)10(2)5-7-15-12/h5,7,17H,4,6,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 113412332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).