5-(4-carbamoylphenyl)pyridine-3-carboxylic acid

C13H10N2O3 — CID 155537215

IUPAC5-(4-carbamoylphenyl)pyridine-3-carboxylic acid
SMILESNC(=O)c1ccc(-c2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C13H10N2O3/c14-12(16)9-3-1-8(2-4-9)10-5-11(13(17)18)7-15-6-10/h1-7H,(H2,14,16)(H,17,18)
InChIKeyGYWRZUBPBRIHMV-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.55
Rot. Bonds3

About 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid

5-(4-carbamoylphenyl)pyridine-3-carboxylic acid (PubChem CID 155537215) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-carbamoylphenyl)pyridine-3-carboxylic acid
PubChem CID155537215
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name5-(4-carbamoylphenyl)pyridine-3-carboxylic acid
SMILESNC(=O)c1ccc(-c2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C13H10N2O3/c14-12(16)9-3-1-8(2-4-9)10-5-11(13(17)18)7-15-6-10/h1-7H,(H2,14,16)(H,17,18)
InChIKeyGYWRZUBPBRIHMV-UHFFFAOYSA-N
XLogP1.55
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid (CID 155537215) is 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid is NC(=O)c1ccc(-c2cncc(C(=O)O)c2)cc1.
What is the InChIKey of 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid?
The InChIKey is GYWRZUBPBRIHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c14-12(16)9-3-1-8(2-4-9)10-5-11(13(17)18)7-15-6-10/h1-7H,(H2,14,16)(H,17,18).
What are the key properties of 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid?
5-(4-carbamoylphenyl)pyridine-3-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoylphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 155537215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).