5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid

C14H13N3O4 — CID 81439191

IUPAC5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1ccncc1O)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H13N3O4/c1-17(13(19)9-4-5-16-7-12(9)18)11-3-2-8(15)6-10(11)14(20)21/h2-7,18H,15H2,1H3,(H,20,21)
InChIKeyOJEAJKCRCIOMKU-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.34
Rot. Bonds3

About 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid

5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid (PubChem CID 81439191) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid
PubChem CID81439191
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid
SMILESCN(C(=O)c1ccncc1O)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H13N3O4/c1-17(13(19)9-4-5-16-7-12(9)18)11-3-2-8(15)6-10(11)14(20)21/h2-7,18H,15H2,1H3,(H,20,21)
InChIKeyOJEAJKCRCIOMKU-UHFFFAOYSA-N
XLogP1.34
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid?
The IUPAC name of 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid (CID 81439191) is 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid?
The canonical SMILES for 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid is CN(C(=O)c1ccncc1O)c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid?
The InChIKey is OJEAJKCRCIOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-17(13(19)9-4-5-16-7-12(9)18)11-3-2-8(15)6-10(11)14(20)21/h2-7,18H,15H2,1H3,(H,20,21).
What are the key properties of 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid?
5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid has a molecular weight of 287.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-hydroxypyridine-4-carbonyl)-methylamino]benzoic acid is sourced from PubChem (CID 81439191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).