3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid

C15H11N5O3 — CID 39035583

IUPAC3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H11N5O3/c21-14(12-13(15(22)23)18-6-5-17-12)19-10-1-3-11(4-2-10)20-8-7-16-9-20/h1-9H,(H,19,21)(H,22,23)
InChIKeyVODVFVFZFKUKCK-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.61
Rot. Bonds4

About 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid

3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 39035583) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID39035583
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC Name3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H11N5O3/c21-14(12-13(15(22)23)18-6-5-17-12)19-10-1-3-11(4-2-10)20-8-7-16-9-20/h1-9H,(H,19,21)(H,22,23)
InChIKeyVODVFVFZFKUKCK-UHFFFAOYSA-N
XLogP1.61
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 31410270
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide
CID 110470971
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
3-[(6-chloro-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39353282
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
5-bromo-N-(4-imidazol-1-ylphenyl)furan-2-carboxamide
CID 31409773
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581
3-[(6-acetamido-3-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
CID 2813206

Frequently Asked Questions

What is the IUPAC name of 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid (CID 39035583) is 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is VODVFVFZFKUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c21-14(12-13(15(22)23)18-6-5-17-12)19-10-1-3-11(4-2-10)20-8-7-16-9-20/h1-9H,(H,19,21)(H,22,23).
What are the key properties of 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 309.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 39035583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).