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

C14H11N3O4 — CID 3237673

IUPAC3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C14H11N3O4/c1-8(18)9-3-2-4-10(7-9)17-13(19)11-12(14(20)21)16-6-5-15-11/h2-7H,1H3,(H,17,19)(H,20,21)
InChIKeyIKNOZQADLVJGSO-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.63
Rot. Bonds4

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

3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 3237673) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID3237673
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1
InChIInChI=1S/C14H11N3O4/c1-8(18)9-3-2-4-10(7-9)17-13(19)11-12(14(20)21)16-6-5-15-11/h2-7H,1H3,(H,17,19)(H,20,21)
InChIKeyIKNOZQADLVJGSO-UHFFFAOYSA-N
XLogP1.63
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Phenylbutanoylamino)pyridine-4-carboxylic acid
CID 64394751
N-(3-acetylphenyl)pyrazine-2-carboxamide
CID 862105
3-[([1,1'-Biphenyl]-2-ylamino)carbonyl]-2-pyrazinecarboxylic acid
CID 2811759
3-[(4-Ethoxycarbonylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 5307879
3-[(3,5-Dimethylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 9550509
3-(3-Phenylpropanoylamino)pyridine-4-carboxylic acid
CID 64393791
3-[(2-Phenylacetyl)amino]pyridine-4-carboxylic acid
CID 64395323
Ethyl 3-{[3-(trifluoromethyl)anilino]carbonyl}-2-pyrazinecarboxylate
CID 1509898
N-benzyl-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 6618946
3-{[3-(Methoxycarbonyl)-2-methylphenyl]carbamoyl}pyridine-2-carboxylic acid
CID 1231065
3-(N-(4-(Dimethylamino)phenyl)carbamoyl)pyridine-2-carboxylic acid
CID 4157878
Methyl 3-(pyrazine-2-carbonylamino)benzoate
CID 862107

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 3237673) is 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid is CC(=O)c1cccc(NC(=O)c2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is IKNOZQADLVJGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-8(18)9-3-2-4-10(7-9)17-13(19)11-12(14(20)21)16-6-5-15-11/h2-7H,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 3237673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).