6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid

C10H8N4O4 — CID 63642570

IUPAC6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2c[nH]c(=O)[nH]2)n1
InChIInChI=1S/C10H8N4O4/c15-8(6-4-11-10(18)13-6)14-7-3-1-2-5(12-7)9(16)17/h1-4H,(H,16,17)(H2,11,13,18)(H,12,14,15)
InChIKeyCGSHJWJINRCSSI-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.05
Rot. Bonds3

About 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid

6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 63642570) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID63642570
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC(=O)c2c[nH]c(=O)[nH]2)n1
InChIInChI=1S/C10H8N4O4/c15-8(6-4-11-10(18)13-6)14-7-3-1-2-5(12-7)9(16)17/h1-4H,(H,16,17)(H2,11,13,18)(H,12,14,15)
InChIKeyCGSHJWJINRCSSI-UHFFFAOYSA-N
XLogP0.05
TPSA127.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid (CID 63642570) is 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC(=O)c2c[nH]c(=O)[nH]2)n1.
What is the InChIKey of 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is CGSHJWJINRCSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c15-8(6-4-11-10(18)13-6)14-7-3-1-2-5(12-7)9(16)17/h1-4H,(H,16,17)(H2,11,13,18)(H,12,14,15).
What are the key properties of 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid?
6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63642570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).