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

C13H19N3O — CID 136532470

IUPAC6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile
SMILESCC(C)CC(CO)N(C)c1cccc(C#N)n1
InChIInChI=1S/C13H19N3O/c1-10(2)7-12(9-17)16(3)13-6-4-5-11(8-14)15-13/h4-6,10,12,17H,7,9H2,1-3H3
InChIKeyVAWHSBHATJWAQN-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds5

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

6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile (PubChem CID 136532470) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile
PubChem CID136532470
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile
SMILESCC(C)CC(CO)N(C)c1cccc(C#N)n1
InChIInChI=1S/C13H19N3O/c1-10(2)7-12(9-17)16(3)13-6-4-5-11(8-14)15-13/h4-6,10,12,17H,7,9H2,1-3H3
InChIKeyVAWHSBHATJWAQN-UHFFFAOYSA-N
XLogP1.80
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile (CID 136532470) is 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile is CC(C)CC(CO)N(C)c1cccc(C#N)n1.
What is the InChIKey of 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile?
The InChIKey is VAWHSBHATJWAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(2)7-12(9-17)16(3)13-6-4-5-11(8-14)15-13/h4-6,10,12,17H,7,9H2,1-3H3.
What are the key properties of 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile?
6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-4-methylpentan-2-yl)-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 136532470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).