6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid

C10H12N2O3 — CID 43558264

IUPAC6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C10H12N2O3/c1-6(2)11-9(13)7-4-3-5-8(12-7)10(14)15/h3-6H,1-2H3,(H,11,13)(H,14,15)
InChIKeyKUIKTNDHAKHZDQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.92
Rot. Bonds3

About 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid

6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43558264) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43558264
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(C)NC(=O)c1cccc(C(=O)O)n1
InChIInChI=1S/C10H12N2O3/c1-6(2)11-9(13)7-4-3-5-8(12-7)10(14)15/h3-6H,1-2H3,(H,11,13)(H,14,15)
InChIKeyKUIKTNDHAKHZDQ-UHFFFAOYSA-N
XLogP0.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid (CID 43558264) is 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid is CC(C)NC(=O)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is KUIKTNDHAKHZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6(2)11-9(13)7-4-3-5-8(12-7)10(14)15/h3-6H,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propan-2-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43558264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).