2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid

C11H14N2O3 — CID 2779758

IUPAC2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-7(9(14)15)5-4-6-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyKXLOGMIKCNUSNG-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.76
Rot. Bonds2

About 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid

2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid (PubChem CID 2779758) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
PubChem CID2779758
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-7(9(14)15)5-4-6-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyKXLOGMIKCNUSNG-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid (CID 2779758) is 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid is CC(C)(C)C(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid?
The InChIKey is KXLOGMIKCNUSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-7(9(14)15)5-4-6-12-8/h4-6H,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid?
2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 2779758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).