4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid

C10H8N4O3 — CID 564988

IUPAC4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccccn1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C10H8N4O3/c15-9(14-6-3-1-2-4-11-6)7-8(10(16)17)13-5-12-7/h1-5H,(H,12,13)(H,16,17)(H,11,14,15)
InChIKeyCXVUEKICGYNMBG-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.76
Rot. Bonds3

About 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid

4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid (PubChem CID 564988) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid
PubChem CID564988
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid
SMILESO=C(Nc1ccccn1)c1nc[nH]c1C(=O)O
InChIInChI=1S/C10H8N4O3/c15-9(14-6-3-1-2-4-11-6)7-8(10(16)17)13-5-12-7/h1-5H,(H,12,13)(H,16,17)(H,11,14,15)
InChIKeyCXVUEKICGYNMBG-UHFFFAOYSA-N
XLogP0.76
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid (CID 564988) is 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid is O=C(Nc1ccccn1)c1nc[nH]c1C(=O)O.
What is the InChIKey of 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is CXVUEKICGYNMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-9(14-6-3-1-2-4-11-6)7-8(10(16)17)13-5-12-7/h1-5H,(H,12,13)(H,16,17)(H,11,14,15).
What are the key properties of 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid?
4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 564988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).