6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid

C15H14N2O3 — CID 43558381

IUPAC6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C15H14N2O3/c18-14(12-7-4-8-13(17-12)15(19)20)16-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)(H,19,20)
InChIKeyJGWYSEDZCQCFLF-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.75
Rot. Bonds5

About 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid

6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558381) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558381
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C15H14N2O3/c18-14(12-7-4-8-13(17-12)15(19)20)16-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)(H,19,20)
InChIKeyJGWYSEDZCQCFLF-UHFFFAOYSA-N
XLogP1.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid (CID 43558381) is 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is JGWYSEDZCQCFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(12-7-4-8-13(17-12)15(19)20)16-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,16,18)(H,19,20).
What are the key properties of 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).