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

C13H11N3O3 — CID 104741844

IUPAC3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
SMILESNc1cccnc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3/c14-10-5-2-6-15-11(10)12(17)16-9-4-1-3-8(7-9)13(18)19/h1-7H,14H2,(H,16,17)(H,18,19)
InChIKeyVNVPWJLLMRGJLE-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.61
Rot. Bonds3

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

3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid (PubChem CID 104741844) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
PubChem CID104741844
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
SMILESNc1cccnc1C(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3/c14-10-5-2-6-15-11(10)12(17)16-9-4-1-3-8(7-9)13(18)19/h1-7H,14H2,(H,16,17)(H,18,19)
InChIKeyVNVPWJLLMRGJLE-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

3-amino-N-[3-(sulfamoylamino)phenyl]pyridine-2-carboxamide
CID 104741346
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
5-[(3-aminopyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104742707
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354
3-[[3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56763143
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
3-[(3-hydroxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 739737

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid (CID 104741844) is 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid is Nc1cccnc1C(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is VNVPWJLLMRGJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-10-5-2-6-15-11(10)12(17)16-9-4-1-3-8(7-9)13(18)19/h1-7H,14H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid?
3-[(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 3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104741844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).