2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile

C11H15N3O — CID 106842221

IUPAC2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCCCO)n1
InChIInChI=1S/C11H15N3O/c1-9-4-5-10(8-12)11(14-9)13-6-2-3-7-15/h4-5,15H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyMROPFQRTICGYKW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.45
Rot. Bonds5

About 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile

2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile (PubChem CID 106842221) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
PubChem CID106842221
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCCCCO)n1
InChIInChI=1S/C11H15N3O/c1-9-4-5-10(8-12)11(14-9)13-6-2-3-7-15/h4-5,15H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyMROPFQRTICGYKW-UHFFFAOYSA-N
XLogP1.45
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile (CID 106842221) is 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NCCCCO)n1.
What is the InChIKey of 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile?
The InChIKey is MROPFQRTICGYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9-4-5-10(8-12)11(14-9)13-6-2-3-7-15/h4-5,15H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile?
2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 106842221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).