3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C18H13N3O3 — CID 2811759

IUPAC3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C18H13N3O3/c22-17(15-16(18(23)24)20-11-10-19-15)21-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,21,22)(H,23,24)
InChIKeyAXLNADORRZQCOR-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.09
Rot. Bonds4

About 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 2811759) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID2811759
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C18H13N3O3/c22-17(15-16(18(23)24)20-11-10-19-15)21-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,21,22)(H,23,24)
InChIKeyAXLNADORRZQCOR-UHFFFAOYSA-N
XLogP3.09
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 2811759) is 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is AXLNADORRZQCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-17(15-16(18(23)24)20-11-10-19-15)21-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,21,22)(H,23,24).
What are the key properties of 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 2811759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).