3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid

C19H15N3O3 — CID 126473086

IUPAC3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
SMILESCC(=O)Nc1cccc(-c2cncc(-c3cccc(C(=O)O)c3)n2)c1
InChIInChI=1S/C19H15N3O3/c1-12(23)21-16-7-3-5-14(9-16)18-11-20-10-17(22-18)13-4-2-6-15(8-13)19(24)25/h2-11H,1H3,(H,21,23)(H,24,25)
InChIKeyLFEYICHXGFWHBI-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.47
Rot. Bonds4

About 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid

3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid (PubChem CID 126473086) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
PubChem CID126473086
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
SMILESCC(=O)Nc1cccc(-c2cncc(-c3cccc(C(=O)O)c3)n2)c1
InChIInChI=1S/C19H15N3O3/c1-12(23)21-16-7-3-5-14(9-16)18-11-20-10-17(22-18)13-4-2-6-15(8-13)19(24)25/h2-11H,1H3,(H,21,23)(H,24,25)
InChIKeyLFEYICHXGFWHBI-UHFFFAOYSA-N
XLogP3.47
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
3-(3-acetamidophenyl)-5-aminobenzoic acid
CID 53227021
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
4-(3-acetamidophenyl)-3-fluorobenzoic acid
CID 53227028
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
N-[3-[6-[(1,5-dimethylpyrazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide
CID 11522879
N-[3-[6-(3,4-dimethoxy-5-methylanilino)pyrazin-2-yl]phenyl]acetamide
CID 155070797
methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate
CID 39732995
2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid
CID 19761467
3-methyl-N-(3-quinoxalin-2-ylphenyl)benzamide
CID 2224328

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid?
The IUPAC name of 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid (CID 126473086) is 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid.
What is the SMILES notation for 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid?
The canonical SMILES for 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid is CC(=O)Nc1cccc(-c2cncc(-c3cccc(C(=O)O)c3)n2)c1.
What is the InChIKey of 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid?
The InChIKey is LFEYICHXGFWHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12(23)21-16-7-3-5-14(9-16)18-11-20-10-17(22-18)13-4-2-6-15(8-13)19(24)25/h2-11H,1H3,(H,21,23)(H,24,25).
What are the key properties of 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid?
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid has a molecular weight of 333.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid is sourced from PubChem (CID 126473086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).