3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid

C13H11N3O4 — CID 81445608

IUPAC3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC(=O)c1ccncc1O
InChIInChI=1S/C13H11N3O4/c14-9-5-7(13(19)20)1-2-10(9)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,14H2,(H,16,18)(H,19,20)
InChIKeyFLLGVNARKRTQEZ-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.32
Rot. Bonds3

About 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid

3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid (PubChem CID 81445608) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
PubChem CID81445608
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
SMILESNc1cc(C(=O)O)ccc1NC(=O)c1ccncc1O
InChIInChI=1S/C13H11N3O4/c14-9-5-7(13(19)20)1-2-10(9)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,14H2,(H,16,18)(H,19,20)
InChIKeyFLLGVNARKRTQEZ-UHFFFAOYSA-N
XLogP1.32
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-hydroxyphenyl)-3-hydroxypyridine-4-carboxamide
CID 107697250
4-fluoro-3-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445363
3-amino-4-[(2-hydroxybenzoyl)amino]benzoic acid
CID 63117270
3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
CID 81440136
N-(2-amino-4,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446459
4,5-difluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81439837
2-[(3-hydroxypyridine-4-carbonyl)amino]-5-iodobenzoic acid
CID 81445870
5-fluoro-2-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81446201
N-(4-amino-2,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 103144448
3-amino-4-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107687661
N-(2,4-dibromophenyl)-3-hydroxypyridine-4-carboxamide
CID 81442512
3-amino-4-(1,2-oxazole-3-carbonylamino)benzoic acid
CID 63117144

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid (CID 81445608) is 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid is Nc1cc(C(=O)O)ccc1NC(=O)c1ccncc1O.
What is the InChIKey of 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
The InChIKey is FLLGVNARKRTQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c14-9-5-7(13(19)20)1-2-10(9)16-12(18)8-3-4-15-6-11(8)17/h1-6,17H,14H2,(H,16,18)(H,19,20).
What are the key properties of 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid?
3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid has a molecular weight of 273.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81445608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).