4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid

C11H14N2O3 — CID 2779729

IUPAC4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1ccncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyUHGXHDOYHCDENE-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.76
Rot. Bonds2

About 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid

4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid (PubChem CID 2779729) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
PubChem CID2779729
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid
SMILESCC(C)(C)C(=O)Nc1ccncc1C(=O)O
InChIInChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyUHGXHDOYHCDENE-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

Analyze 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid (CID 2779729) is 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid is CC(C)(C)C(=O)Nc1ccncc1C(=O)O.
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid?
The InChIKey is UHGXHDOYHCDENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,3)10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid?
4-(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 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 2779729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).