2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid

C13H10BrN3O4 — CID 63652158

IUPAC2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H10BrN3O4/c14-8-3-4-11(19)17(6-8)7-10(18)16-12-9(13(20)21)2-1-5-15-12/h1-6H,7H2,(H,20,21)(H,15,16,18)
InChIKeyYJFRRPCJMKSGKA-UHFFFAOYSA-N
MW352.14 g/mol
LogP1.34
Rot. Bonds4

About 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid

2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid (PubChem CID 63652158) has the molecular formula C13H10BrN3O4 and a molecular weight of 352.14 g/mol. Its IUPAC name is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid
PubChem CID63652158
Molecular FormulaC13H10BrN3O4
Molecular Weight352.14 g/mol
Exact Mass350.99
IUPAC Name2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid
SMILESO=C(Cn1cc(Br)ccc1=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C13H10BrN3O4/c14-8-3-4-11(19)17(6-8)7-10(18)16-12-9(13(20)21)2-1-5-15-12/h1-6H,7H2,(H,20,21)(H,15,16,18)
InChIKeyYJFRRPCJMKSGKA-UHFFFAOYSA-N
XLogP1.34
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 55763738
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 26217251
2-(5-bromo-2-oxo-1-pyridinyl)-N-(4-iodophenyl)acetamide
CID 26217273
2-(5-bromo-2-oxo-1-pyridinyl)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764818
2-(5-bromo-2-oxo-1-pyridinyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32609841
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-ethylphenyl)acetamide
CID 26051552
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653
2-[[2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]acetyl]amino]acetic acid
CID 43465461
2-[4-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 37340654
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenoxyethyl)acetamide
CID 51209692
2-(5-bromo-2-oxo-1-pyridinyl)-N-cyanoacetamide
CID 79194945
2-formamidopyridine-3-carboxylic acid
CID 54137252

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid (CID 63652158) is 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid is O=C(Cn1cc(Br)ccc1=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid?
The InChIKey is YJFRRPCJMKSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4/c14-8-3-4-11(19)17(6-8)7-10(18)16-12-9(13(20)21)2-1-5-15-12/h1-6H,7H2,(H,20,21)(H,15,16,18).
What are the key properties of 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid?
2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid has a molecular weight of 352.14 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63652158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).