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

C11H14N2O3 — CID 43558270

IUPAC6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)CNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-7(2)6-12-10(14)8-4-3-5-9(13-8)11(15)16/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyAGEWGAMJSBYHAP-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.17
Rot. Bonds4

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

6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558270) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558270
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)CNC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-7(2)6-12-10(14)8-4-3-5-9(13-8)11(15)16/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyAGEWGAMJSBYHAP-UHFFFAOYSA-N
XLogP1.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid (CID 43558270) is 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid is CC(C)CNC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is AGEWGAMJSBYHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7(2)6-12-10(14)8-4-3-5-9(13-8)11(15)16/h3-5,7H,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid?
6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).