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

C12H17N3O — CID 64589763

IUPAC6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)CC(CO)Nc1cccc(C#N)n1
InChIInChI=1S/C12H17N3O/c1-9(2)6-11(8-16)15-12-5-3-4-10(7-13)14-12/h3-5,9,11,16H,6,8H2,1-2H3,(H,14,15)
InChIKeyXXGSENFFPDYYRB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.77
Rot. Bonds5

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

6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile (PubChem CID 64589763) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
PubChem CID64589763
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile
SMILESCC(C)CC(CO)Nc1cccc(C#N)n1
InChIInChI=1S/C12H17N3O/c1-9(2)6-11(8-16)15-12-5-3-4-10(7-13)14-12/h3-5,9,11,16H,6,8H2,1-2H3,(H,14,15)
InChIKeyXXGSENFFPDYYRB-UHFFFAOYSA-N
XLogP1.77
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile (CID 64589763) is 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile is CC(C)CC(CO)Nc1cccc(C#N)n1.
What is the InChIKey of 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
The InChIKey is XXGSENFFPDYYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)6-11(8-16)15-12-5-3-4-10(7-13)14-12/h3-5,9,11,16H,6,8H2,1-2H3,(H,14,15).
What are the key properties of 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile?
6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 64589763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).