3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile

C12H18N4O — CID 103467749

IUPAC3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)CC(CO)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4O/c1-8(2)5-9(7-17)15-12-4-3-10(14)11(6-13)16-12/h3-4,8-9,17H,5,7,14H2,1-2H3,(H,15,16)
InChIKeyOQQPHFDHALKADZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile

3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 103467749) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID103467749
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)CC(CO)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C12H18N4O/c1-8(2)5-9(7-17)15-12-4-3-10(14)11(6-13)16-12/h3-4,8-9,17H,5,7,14H2,1-2H3,(H,15,16)
InChIKeyOQQPHFDHALKADZ-UHFFFAOYSA-N
XLogP1.35
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
3-amino-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 114151096
3-amino-6-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 103468594
6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 64589763
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103469330
3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
CID 103468203
3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
CID 103467281
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785
3-amino-6-[1-(4-fluorophenyl)ethylamino]pyridine-2-carbonitrile
CID 103467892
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile (CID 103467749) is 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile is CC(C)CC(CO)Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is OQQPHFDHALKADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(2)5-9(7-17)15-12-4-3-10(14)11(6-13)16-12/h3-4,8-9,17H,5,7,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103467749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).