4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile

C15H15N3O2 — CID 103202003

IUPAC4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(Oc2cc(C)nc(C)c2C#N)cc1N
InChIInChI=1S/C15H15N3O2/c1-9-6-15(12(8-16)10(2)18-9)20-11-4-5-14(19-3)13(17)7-11/h4-7H,17H2,1-3H3
InChIKeyIXLNUGAFTMWYAX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.95
Rot. Bonds3

About 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile

4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 103202003) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID103202003
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(Oc2cc(C)nc(C)c2C#N)cc1N
InChIInChI=1S/C15H15N3O2/c1-9-6-15(12(8-16)10(2)18-9)20-11-4-5-14(19-3)13(17)7-11/h4-7H,17H2,1-3H3
InChIKeyIXLNUGAFTMWYAX-UHFFFAOYSA-N
XLogP2.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile (CID 103202003) is 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile is COc1ccc(Oc2cc(C)nc(C)c2C#N)cc1N.
What is the InChIKey of 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is IXLNUGAFTMWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-6-15(12(8-16)10(2)18-9)20-11-4-5-14(19-3)13(17)7-11/h4-7H,17H2,1-3H3.
What are the key properties of 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile?
4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methoxyphenoxy)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 103202003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).