6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid

C11H14N2O3 — CID 43558262

IUPAC6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-11(2,3)13-9(14)7-5-4-6-8(12-7)10(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeySYVNYFHLSYALFR-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.31
Rot. Bonds2

About 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid

6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558262) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558262
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C11H14N2O3/c1-11(2,3)13-9(14)7-5-4-6-8(12-7)10(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeySYVNYFHLSYALFR-UHFFFAOYSA-N
XLogP1.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid (CID 43558262) is 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid is CC(C)(C)NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is SYVNYFHLSYALFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,3)13-9(14)7-5-4-6-8(12-7)10(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid?
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).