5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid

C18H13N3O3 — CID 137373472

IUPAC5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(=O)c2ccccc2-c2ccccc2)cn1
InChIInChI=1S/C18H13N3O3/c22-17(21-16-11-19-15(10-20-16)18(23)24)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,23,24)(H,20,21,22)
InChIKeyTXYLWOWSSVODEZ-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.09
Rot. Bonds4

About 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid

5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid (PubChem CID 137373472) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid
PubChem CID137373472
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(=O)c2ccccc2-c2ccccc2)cn1
InChIInChI=1S/C18H13N3O3/c22-17(21-16-11-19-15(10-20-16)18(23)24)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,23,24)(H,20,21,22)
InChIKeyTXYLWOWSSVODEZ-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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Related Compounds

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azulene-1-carbohydrazide
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6-[(2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
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N-(5-chloropyrazin-2-yl)-2-hydroxybenzamide
CID 107595825
N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide
CID 21462557
acetylene;2-phenylbenzoic acid
CID 67726329
2-phenyl-N-[3-(phenylcarbamoylamino)phenyl]benzamide
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2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
N-[5-[(5R)-7-chloro-4,4-difluoro-5-hydroxy-5-(hydroxymethyl)-2,3-dihydro-1-benzazepine-1-carbonyl]pyrazin-2-yl]-5-fluoro-2-phenylbenzamide
CID 153301611
2-phenyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26357388

Frequently Asked Questions

What is the IUPAC name of 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid (CID 137373472) is 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC(=O)c2ccccc2-c2ccccc2)cn1.
What is the InChIKey of 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is TXYLWOWSSVODEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-17(21-16-11-19-15(10-20-16)18(23)24)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,23,24)(H,20,21,22).
What are the key properties of 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid?
5-[(2-phenylbenzoyl)amino]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 5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 137373472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).