3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile

C15H16N4O2 — CID 133390217

IUPAC3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
SMILESCOc1cccc(COCCNc2nccnc2C#N)c1
InChIInChI=1S/C15H16N4O2/c1-20-13-4-2-3-12(9-13)11-21-8-7-19-15-14(10-16)17-5-6-18-15/h2-6,9H,7-8,11H2,1H3,(H,18,19)
InChIKeyAZLKYFZZJPGVMT-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.99
Rot. Bonds7

About 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile

3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile (PubChem CID 133390217) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
PubChem CID133390217
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
SMILESCOc1cccc(COCCNc2nccnc2C#N)c1
InChIInChI=1S/C15H16N4O2/c1-20-13-4-2-3-12(9-13)11-21-8-7-19-15-14(10-16)17-5-6-18-15/h2-6,9H,7-8,11H2,1H3,(H,18,19)
InChIKeyAZLKYFZZJPGVMT-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
6-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyridine-3-carbonitrile
CID 133390213
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
CID 55104413
3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284146
3-[[3-(methoxymethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 62672178
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
3-chloro-5-[2-[(3-methoxyphenyl)methoxy]ethylamino]-1,2-thiazole-4-carbonitrile
CID 133390237
3-(3-phenoxypropylamino)pyrazine-2-carbonitrile
CID 55133688
N-[2-[(3-methoxyphenyl)methoxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133390223
3-(3-methoxyanilino)pyrazine-2-carbonitrile
CID 62685033
4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
CID 133390220

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile (CID 133390217) is 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile is COc1cccc(COCCNc2nccnc2C#N)c1.
What is the InChIKey of 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile?
The InChIKey is AZLKYFZZJPGVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-20-13-4-2-3-12(9-13)11-21-8-7-19-15-14(10-16)17-5-6-18-15/h2-6,9H,7-8,11H2,1H3,(H,18,19).
What are the key properties of 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile?
3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133390217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).