2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid

C13H11N3O3 — CID 104741859

IUPAC2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
SMILESNc1cccnc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H11N3O3/c14-9-5-3-7-15-11(9)12(17)16-10-6-2-1-4-8(10)13(18)19/h1-7H,14H2,(H,16,17)(H,18,19)
InChIKeyVCVBDKNHSVJHOA-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.61
Rot. Bonds3

About 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid

2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid (PubChem CID 104741859) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
PubChem CID104741859
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
SMILESNc1cccnc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C13H11N3O3/c14-9-5-3-7-15-11(9)12(17)16-10-6-2-1-4-8(10)13(18)19/h1-7H,14H2,(H,16,17)(H,18,19)
InChIKeyVCVBDKNHSVJHOA-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

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Related Compounds

2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
3-amino-N-[2-(triazol-1-yl)phenyl]pyridine-2-carboxamide
CID 104741177
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615274
3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide
CID 104740834
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615270

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid (CID 104741859) is 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid is Nc1cccnc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is VCVBDKNHSVJHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-9-5-3-7-15-11(9)12(17)16-10-6-2-1-4-8(10)13(18)19/h1-7H,14H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid?
2-[(3-aminopyridine-2-carbonyl)amino]benzoic 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 2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104741859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).