N-(4-phenoxyphenyl)pyrazine-2-carboxamide

C17H13N3O2 — CID 695409

IUPACN-(4-phenoxyphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cnccn1
InChIInChI=1S/C17H13N3O2/c21-17(16-12-18-10-11-19-16)20-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-12H,(H,20,21)
InChIKeyHJJZYIKIZMNGTF-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.52
Rot. Bonds4

About N-(4-phenoxyphenyl)pyrazine-2-carboxamide

N-(4-phenoxyphenyl)pyrazine-2-carboxamide (PubChem CID 695409) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)pyrazine-2-carboxamide
PubChem CID695409
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-(4-phenoxyphenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cnccn1
InChIInChI=1S/C17H13N3O2/c21-17(16-12-18-10-11-19-16)20-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-12H,(H,20,21)
InChIKeyHJJZYIKIZMNGTF-UHFFFAOYSA-N
XLogP3.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)pyrazine-2-carboxamide (CID 695409) is N-(4-phenoxyphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnccn1.
What is the InChIKey of N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
The InChIKey is HJJZYIKIZMNGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(16-12-18-10-11-19-16)20-13-6-8-15(9-7-13)22-14-4-2-1-3-5-14/h1-12H,(H,20,21).
What are the key properties of N-(4-phenoxyphenyl)pyrazine-2-carboxamide?
N-(4-phenoxyphenyl)pyrazine-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 695409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).