3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile

C18H14N4O — CID 133284487

IUPAC3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H14N4O/c19-12-16-18(21-11-10-20-16)22-13-14-6-4-5-9-17(14)23-15-7-2-1-3-8-15/h1-11H,13H2,(H,21,22)
InChIKeyHBVZRRSOKNKTCT-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.75
Rot. Bonds5

About 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile

3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 133284487) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile
PubChem CID133284487
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C18H14N4O/c19-12-16-18(21-11-10-20-16)22-13-14-6-4-5-9-17(14)23-15-7-2-1-3-8-15/h1-11H,13H2,(H,21,22)
InChIKeyHBVZRRSOKNKTCT-UHFFFAOYSA-N
XLogP3.75
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile (CID 133284487) is 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile is N#Cc1nccnc1NCc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is HBVZRRSOKNKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-12-16-18(21-11-10-20-16)22-13-14-6-4-5-9-17(14)23-15-7-2-1-3-8-15/h1-11H,13H2,(H,21,22).
What are the key properties of 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile?
3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenoxyphenyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).