5-acetamido-4-aminopyridine-2-carboxylic acid

C8H9N3O3 — CID 5278296

IUPAC5-acetamido-4-aminopyridine-2-carboxylic acid
SMILESCC(=O)Nc1cnc(C(=O)O)cc1N
InChIInChI=1S/C8H9N3O3/c1-4(12)11-7-3-10-6(8(13)14)2-5(7)9/h2-3H,1H3,(H2,9,10)(H,11,12)(H,13,14)
InChIKeyOKNLQYZKSDZFTL-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.32
Rot. Bonds2

About 5-acetamido-4-aminopyridine-2-carboxylic acid

5-acetamido-4-aminopyridine-2-carboxylic acid (PubChem CID 5278296) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-acetamido-4-aminopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-4-aminopyridine-2-carboxylic acid
PubChem CID5278296
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name5-acetamido-4-aminopyridine-2-carboxylic acid
SMILESCC(=O)Nc1cnc(C(=O)O)cc1N
InChIInChI=1S/C8H9N3O3/c1-4(12)11-7-3-10-6(8(13)14)2-5(7)9/h2-3H,1H3,(H2,9,10)(H,11,12)(H,13,14)
InChIKeyOKNLQYZKSDZFTL-UHFFFAOYSA-N
XLogP0.32
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-aminopyridine-2-carboxylic acid?
The IUPAC name of 5-acetamido-4-aminopyridine-2-carboxylic acid (CID 5278296) is 5-acetamido-4-aminopyridine-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-4-aminopyridine-2-carboxylic acid?
The canonical SMILES for 5-acetamido-4-aminopyridine-2-carboxylic acid is CC(=O)Nc1cnc(C(=O)O)cc1N.
What is the InChIKey of 5-acetamido-4-aminopyridine-2-carboxylic acid?
The InChIKey is OKNLQYZKSDZFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-4(12)11-7-3-10-6(8(13)14)2-5(7)9/h2-3H,1H3,(H2,9,10)(H,11,12)(H,13,14).
What are the key properties of 5-acetamido-4-aminopyridine-2-carboxylic acid?
5-acetamido-4-aminopyridine-2-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of 0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-aminopyridine-2-carboxylic acid is sourced from PubChem (CID 5278296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).