5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid

C13H11N3O3 — CID 63154147

IUPAC5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
SMILESNc1ccccc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3/c14-11-4-2-1-3-10(11)12(17)16-9-5-8(13(18)19)6-15-7-9/h1-7H,14H2,(H,16,17)(H,18,19)
InChIKeyIZYQFENBYZQFNT-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.61
Rot. Bonds3

About 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid

5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 63154147) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID63154147
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
SMILESNc1ccccc1C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3/c14-11-4-2-1-3-10(11)12(17)16-9-5-8(13(18)19)6-15-7-9/h1-7H,14H2,(H,16,17)(H,18,19)
InChIKeyIZYQFENBYZQFNT-UHFFFAOYSA-N
XLogP1.61
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid (CID 63154147) is 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid is Nc1ccccc1C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is IZYQFENBYZQFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-11-4-2-1-3-10(11)12(17)16-9-5-8(13(18)19)6-15-7-9/h1-7H,14H2,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid?
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 257.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63154147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).