3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile

C12H18N4O — CID 106183703

IUPAC3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)(O)C(C)(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4O/c1-11(2,12(3,4)17)16-10-6-5-8(14)9(7-13)15-10/h5-6,17H,14H2,1-4H3,(H,15,16)
InChIKeyKZHCDIURJXSXNE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.50
Rot. Bonds3

About 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile

3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 106183703) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID106183703
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)(O)C(C)(C)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4O/c1-11(2,12(3,4)17)16-10-6-5-8(14)9(7-13)15-10/h5-6,17H,14H2,1-4H3,(H,15,16)
InChIKeyKZHCDIURJXSXNE-UHFFFAOYSA-N
XLogP1.50
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-6-cyano-2-pyridinyl)amino]-2-methylpropanamide
CID 103468133
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-[(5-amino-6-methoxy-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 114155171
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
3-amino-6-[(2-hydroxy-3-methoxypropyl)amino]pyridine-2-carbonitrile
CID 103468525
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
3-amino-6-[[(E)-pent-3-enyl]amino]pyridine-2-carbonitrile
CID 103469092

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile (CID 106183703) is 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile is CC(C)(O)C(C)(C)Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is KZHCDIURJXSXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-11(2,12(3,4)17)16-10-6-5-8(14)9(7-13)15-10/h5-6,17H,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile?
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 106183703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).