5-acetamidopyridine-2-carboxylic acid

C8H8N2O3 — CID 5278292

IUPAC5-acetamidopyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H8N2O3/c1-5(11)10-6-2-3-7(8(12)13)9-4-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyWPZGIHCOKAJSHJ-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.74
Rot. Bonds2

About 5-acetamidopyridine-2-carboxylic acid

5-acetamidopyridine-2-carboxylic acid (PubChem CID 5278292) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 5-acetamidopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamidopyridine-2-carboxylic acid
PubChem CID5278292
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name5-acetamidopyridine-2-carboxylic acid
SMILESCC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H8N2O3/c1-5(11)10-6-2-3-7(8(12)13)9-4-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyWPZGIHCOKAJSHJ-UHFFFAOYSA-N
XLogP0.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-acetyl-3-pyridinyl)carbamic acid
CID 121318234
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
CID 83024404
5-[(5-chloropyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 107371641
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
CID 107938243
5-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670888
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638813
5-(sulfamoylamino)pyridine-2-carboxylic acid
CID 114958996
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
(5-acetamido-2-pyridinyl) hydrogen carbonate
CID 91622867
5-[(3-chloro-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107096027
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686

Frequently Asked Questions

What is the IUPAC name of 5-acetamidopyridine-2-carboxylic acid?
The IUPAC name of 5-acetamidopyridine-2-carboxylic acid (CID 5278292) is 5-acetamidopyridine-2-carboxylic acid.
What is the SMILES notation for 5-acetamidopyridine-2-carboxylic acid?
The canonical SMILES for 5-acetamidopyridine-2-carboxylic acid is CC(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-acetamidopyridine-2-carboxylic acid?
The InChIKey is WPZGIHCOKAJSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5(11)10-6-2-3-7(8(12)13)9-4-6/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-acetamidopyridine-2-carboxylic acid?
5-acetamidopyridine-2-carboxylic acid has a molecular weight of 180.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamidopyridine-2-carboxylic acid is sourced from PubChem (CID 5278292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).