3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile

C15H16N4O2 — CID 133284146

IUPAC3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
SMILESCOc1ccc(OCCCNc2nccnc2C#N)cc1
InChIInChI=1S/C15H16N4O2/c1-20-12-3-5-13(6-4-12)21-10-2-7-18-15-14(11-16)17-8-9-19-15/h3-6,8-9H,2,7,10H2,1H3,(H,18,19)
InChIKeyIIBPXOPQZVUEFD-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.24
Rot. Bonds7

About 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile

3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile (PubChem CID 133284146) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
PubChem CID133284146
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
SMILESCOc1ccc(OCCCNc2nccnc2C#N)cc1
InChIInChI=1S/C15H16N4O2/c1-20-12-3-5-13(6-4-12)21-10-2-7-18-15-14(11-16)17-8-9-19-15/h3-6,8-9H,2,7,10H2,1H3,(H,18,19)
InChIKeyIIBPXOPQZVUEFD-UHFFFAOYSA-N
XLogP2.24
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-(4-methoxyphenoxy)propylamino]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

Related Compounds

3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
3-(4-methoxybutylamino)pyrazine-2-carbonitrile
CID 62673581
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
CID 133283671
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133390217
3-[2-(methylamino)ethylamino]pyrazine-2-carbonitrile
CID 62674136
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-[3-(2,4-dichlorophenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284498
3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile
CID 133284092
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
CID 80509509

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile (CID 133284146) is 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile is COc1ccc(OCCCNc2nccnc2C#N)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile?
The InChIKey is IIBPXOPQZVUEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-12-3-5-13(6-4-12)21-10-2-7-18-15-14(11-16)17-8-9-19-15/h3-6,8-9H,2,7,10H2,1H3,(H,18,19).
What are the key properties of 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile?
3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).