2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile

C15H15N3O — CID 103174342

IUPAC2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCCc1nc(C)ccc1Oc1ccc(C#N)c(N)c1
InChIInChI=1S/C15H15N3O/c1-3-14-15(7-4-10(2)18-14)19-12-6-5-11(9-16)13(17)8-12/h4-8H,3,17H2,1-2H3
InChIKeyXBTAVSBPLOKUBJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.20
Rot. Bonds3

About 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile

2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile (PubChem CID 103174342) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile
PubChem CID103174342
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCCc1nc(C)ccc1Oc1ccc(C#N)c(N)c1
InChIInChI=1S/C15H15N3O/c1-3-14-15(7-4-10(2)18-14)19-12-6-5-11(9-16)13(17)8-12/h4-8H,3,17H2,1-2H3
InChIKeyXBTAVSBPLOKUBJ-UHFFFAOYSA-N
XLogP3.20
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-methylbenzonitrile
CID 103174716
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2-(trifluoromethyl)aniline
CID 103174413
2-amino-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103175349
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylpyrimidine-4-carbonitrile
CID 107546090
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyridine-3-carbonitrile
CID 103174665
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-2,6-dimethylpyridine-3-carbonitrile
CID 103174694
2-bromo-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarbothioamide
CID 107278448
5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 62074114
4-amino-3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzamide
CID 103174395
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176389
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-methylphenyl]methanamine
CID 107926557
2-(2-amino-4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
CID 62369184

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile (CID 103174342) is 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile is CCc1nc(C)ccc1Oc1ccc(C#N)c(N)c1.
What is the InChIKey of 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile?
The InChIKey is XBTAVSBPLOKUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-14-15(7-4-10(2)18-14)19-12-6-5-11(9-16)13(17)8-12/h4-8H,3,17H2,1-2H3.
What are the key properties of 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile?
2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile has a molecular weight of 253.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 103174342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).