4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid

C13H9N3O5 — CID 63651069

IUPAC4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccnc(C(=O)O)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9N3O5/c17-12(8-2-1-3-10(6-8)16(20)21)15-9-4-5-14-11(7-9)13(18)19/h1-7H,(H,18,19)(H,14,15,17)
InChIKeyKKALOFAVINHEIV-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.94
Rot. Bonds4

About 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid

4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid (PubChem CID 63651069) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
PubChem CID63651069
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid
SMILESO=C(Nc1ccnc(C(=O)O)c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9N3O5/c17-12(8-2-1-3-10(6-8)16(20)21)15-9-4-5-14-11(7-9)13(18)19/h1-7H,(H,18,19)(H,14,15,17)
InChIKeyKKALOFAVINHEIV-UHFFFAOYSA-N
XLogP1.94
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-nitrobenzoyl)amino]benzoic acid;hydrochloride
CID 67278750
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
N-(3-anilinophenyl)-3-nitrobenzamide
CID 78799022
3-[(3-nitrobenzoyl)amino]benzamide
CID 25431511
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
4-(pyridine-4-carbonylamino)pyridine-2-carboxylic acid
CID 63651530
4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide
CID 62166120
2-[(3-nitrobenzoyl)amino]-N-pyridin-4-ylbenzamide
CID 1313628
N-(3,5-dimethylphenyl)-3-nitrobenzamide
CID 710720
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406

Frequently Asked Questions

What is the IUPAC name of 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid (CID 63651069) is 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid is O=C(Nc1ccnc(C(=O)O)c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid?
The InChIKey is KKALOFAVINHEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-12(8-2-1-3-10(6-8)16(20)21)15-9-4-5-14-11(7-9)13(18)19/h1-7H,(H,18,19)(H,14,15,17).
What are the key properties of 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid?
4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid has a molecular weight of 287.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-nitrobenzoyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).