4-(cyclobutylamino)pyridine-3-carboxylic acid

C10H12N2O2 — CID 81243809

IUPAC4-(cyclobutylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NC1CCC1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-6-11-5-4-9(8)12-7-2-1-3-7/h4-7H,1-3H2,(H,11,12)(H,13,14)
InChIKeyXAISZTAEXGHBAX-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.74
Rot. Bonds3

About 4-(cyclobutylamino)pyridine-3-carboxylic acid

4-(cyclobutylamino)pyridine-3-carboxylic acid (PubChem CID 81243809) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 4-(cyclobutylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylamino)pyridine-3-carboxylic acid
PubChem CID81243809
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name4-(cyclobutylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1NC1CCC1
InChIInChI=1S/C10H12N2O2/c13-10(14)8-6-11-5-4-9(8)12-7-2-1-3-7/h4-7H,1-3H2,(H,11,12)(H,13,14)
InChIKeyXAISZTAEXGHBAX-UHFFFAOYSA-N
XLogP1.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(cyclobutylamino)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-(cyclobutylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(cyclobutylamino)pyridine-3-carboxylic acid (CID 81243809) is 4-(cyclobutylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(cyclobutylamino)pyridine-3-carboxylic acid is O=C(O)c1cnccc1NC1CCC1.
What is the InChIKey of 4-(cyclobutylamino)pyridine-3-carboxylic acid?
The InChIKey is XAISZTAEXGHBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)8-6-11-5-4-9(8)12-7-2-1-3-7/h4-7H,1-3H2,(H,11,12)(H,13,14).
What are the key properties of 4-(cyclobutylamino)pyridine-3-carboxylic acid?
4-(cyclobutylamino)pyridine-3-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81243809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).