5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile

C11H15N3O — CID 79839810

IUPAC5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
SMILESCC(C)[C@@H](CO)Nc1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O/c1-8(2)11(7-15)14-10-4-3-9(5-12)13-6-10/h3-4,6,8,11,14-15H,7H2,1-2H3/t11-/m1/s1
InChIKeyVWNQBNNNVIAZNT-LLVKDONJSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds4

About 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile

5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile (PubChem CID 79839810) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
PubChem CID79839810
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
SMILESCC(C)[C@@H](CO)Nc1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O/c1-8(2)11(7-15)14-10-4-3-9(5-12)13-6-10/h3-4,6,8,11,14-15H,7H2,1-2H3/t11-/m1/s1
InChIKeyVWNQBNNNVIAZNT-LLVKDONJSA-N
XLogP1.38
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile (CID 79839810) is 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile is CC(C)[C@@H](CO)Nc1ccc(C#N)nc1.
What is the InChIKey of 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile?
The InChIKey is VWNQBNNNVIAZNT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)11(7-15)14-10-4-3-9(5-12)13-6-10/h3-4,6,8,11,14-15H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile?
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 79839810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).