2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile

C14H13N3O — CID 114769786

IUPAC2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1ccc(N)c(Oc2cc(C#N)cc(C)n2)c1
InChIInChI=1S/C14H13N3O/c1-9-3-4-12(16)13(5-9)18-14-7-11(8-15)6-10(2)17-14/h3-7H,16H2,1-2H3
InChIKeyVNZMFIYNYNXZHS-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.94
Rot. Bonds2

About 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile

2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile (PubChem CID 114769786) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile
PubChem CID114769786
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile
SMILESCc1ccc(N)c(Oc2cc(C#N)cc(C)n2)c1
InChIInChI=1S/C14H13N3O/c1-9-3-4-12(16)13(5-9)18-14-7-11(8-15)6-10(2)17-14/h3-7H,16H2,1-2H3
InChIKeyVNZMFIYNYNXZHS-UHFFFAOYSA-N
XLogP2.94
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile (CID 114769786) is 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile is Cc1ccc(N)c(Oc2cc(C#N)cc(C)n2)c1.
What is the InChIKey of 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile?
The InChIKey is VNZMFIYNYNXZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-9-3-4-12(16)13(5-9)18-14-7-11(8-15)6-10(2)17-14/h3-7H,16H2,1-2H3.
What are the key properties of 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile?
2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenoxy)-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114769786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).