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

C11H16N4O — CID 103468731

IUPAC3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)C(CO)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C11H16N4O/c1-7(2)10(6-16)15-11-4-3-8(13)9(5-12)14-11/h3-4,7,10,16H,6,13H2,1-2H3,(H,14,15)
InChIKeyTXFRYUYBYSPZDG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.96
Rot. Bonds4

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

3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 103468731) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID103468731
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)C(CO)Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C11H16N4O/c1-7(2)10(6-16)15-11-4-3-8(13)9(5-12)14-11/h3-4,7,10,16H,6,13H2,1-2H3,(H,14,15)
InChIKeyTXFRYUYBYSPZDG-UHFFFAOYSA-N
XLogP0.96
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
CID 103467749
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
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
3-amino-6-(hexan-2-ylamino)pyridine-2-carbonitrile
CID 103468203
(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79248758
3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
CID 103467281
(2S)-2-[(6-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 80648091
3-amino-6-(3-hydroxybutylamino)pyridine-2-carbonitrile
CID 103468589
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103469330
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
3-amino-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-2-carbonitrile
CID 107845785

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile (CID 103468731) is 3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile is CC(C)C(CO)Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is TXFRYUYBYSPZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7(2)10(6-16)15-11-4-3-8(13)9(5-12)14-11/h3-4,7,10,16H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile?
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of 0.96, 4 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-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).