3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile

C19H16N4O — CID 133302111

IUPAC3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile
SMILESCc1ccccc1COc1cccc(Nc2nccnc2C#N)c1
InChIInChI=1S/C19H16N4O/c1-14-5-2-3-6-15(14)13-24-17-8-4-7-16(11-17)23-19-18(12-20)21-9-10-22-19/h2-11H,13H2,1H3,(H,22,23)
InChIKeyQIELXPQXXVSSPS-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.98
Rot. Bonds5

About 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile

3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile (PubChem CID 133302111) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile
PubChem CID133302111
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile
SMILESCc1ccccc1COc1cccc(Nc2nccnc2C#N)c1
InChIInChI=1S/C19H16N4O/c1-14-5-2-3-6-15(14)13-24-17-8-4-7-16(11-17)23-19-18(12-20)21-9-10-22-19/h2-11H,13H2,1H3,(H,22,23)
InChIKeyQIELXPQXXVSSPS-UHFFFAOYSA-N
XLogP3.98
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile (CID 133302111) is 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile is Cc1ccccc1COc1cccc(Nc2nccnc2C#N)c1.
What is the InChIKey of 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile?
The InChIKey is QIELXPQXXVSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-14-5-2-3-6-15(14)13-24-17-8-4-7-16(11-17)23-19-18(12-20)21-9-10-22-19/h2-11H,13H2,1H3,(H,22,23).
What are the key properties of 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile?
3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylphenyl)methoxy]anilino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133302111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).