5-(benzylamino)pyridine-2-carboxylic acid

C13H12N2O2 — CID 12640163

IUPAC5-(benzylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C13H12N2O2/c16-13(17)12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,16,17)
InChIKeyMMCNGXROUVKIRD-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.39
Rot. Bonds4

About 5-(benzylamino)pyridine-2-carboxylic acid

5-(benzylamino)pyridine-2-carboxylic acid (PubChem CID 12640163) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(benzylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(benzylamino)pyridine-2-carboxylic acid
PubChem CID12640163
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-(benzylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccccc2)cn1
InChIInChI=1S/C13H12N2O2/c16-13(17)12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,16,17)
InChIKeyMMCNGXROUVKIRD-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(benzylamino)pyridine-2-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 5-(benzylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(benzylamino)pyridine-2-carboxylic acid (CID 12640163) is 5-(benzylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(benzylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(benzylamino)pyridine-2-carboxylic acid is O=C(O)c1ccc(NCc2ccccc2)cn1.
What is the InChIKey of 5-(benzylamino)pyridine-2-carboxylic acid?
The InChIKey is MMCNGXROUVKIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-13(17)12-7-6-11(9-15-12)14-8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,16,17).
What are the key properties of 5-(benzylamino)pyridine-2-carboxylic acid?
5-(benzylamino)pyridine-2-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 12640163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).