5-(propanoylamino)pyridine-2-carboxylic acid

C9H10N2O3 — CID 12640221

IUPAC5-(propanoylamino)pyridine-2-carboxylic acid
SMILESCCC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N2O3/c1-2-8(12)11-6-3-4-7(9(13)14)10-5-6/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyLIUZUQLLDDCNRD-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.13
Rot. Bonds3

About 5-(propanoylamino)pyridine-2-carboxylic acid

5-(propanoylamino)pyridine-2-carboxylic acid (PubChem CID 12640221) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-(propanoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(propanoylamino)pyridine-2-carboxylic acid
PubChem CID12640221
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name5-(propanoylamino)pyridine-2-carboxylic acid
SMILESCCC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C9H10N2O3/c1-2-8(12)11-6-3-4-7(9(13)14)10-5-6/h3-5H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyLIUZUQLLDDCNRD-UHFFFAOYSA-N
XLogP1.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(propanoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(propanoylamino)pyridine-2-carboxylic acid (CID 12640221) is 5-(propanoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(propanoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(propanoylamino)pyridine-2-carboxylic acid is CCC(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(propanoylamino)pyridine-2-carboxylic acid?
The InChIKey is LIUZUQLLDDCNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-2-8(12)11-6-3-4-7(9(13)14)10-5-6/h3-5H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-(propanoylamino)pyridine-2-carboxylic acid?
5-(propanoylamino)pyridine-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propanoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 12640221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).