3-(2-phenylethylamino)pyridine-4-carboxylic acid

C14H14N2O2 — CID 71767872

IUPAC3-(2-phenylethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCCc1ccccc1
InChIInChI=1S/C14H14N2O2/c17-14(18)12-7-8-15-10-13(12)16-9-6-11-4-2-1-3-5-11/h1-5,7-8,10,16H,6,9H2,(H,17,18)
InChIKeyRNUGCABFGYLHIN-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.43
Rot. Bonds5

About 3-(2-phenylethylamino)pyridine-4-carboxylic acid

3-(2-phenylethylamino)pyridine-4-carboxylic acid (PubChem CID 71767872) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(2-phenylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylethylamino)pyridine-4-carboxylic acid
PubChem CID71767872
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(2-phenylethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCCc1ccccc1
InChIInChI=1S/C14H14N2O2/c17-14(18)12-7-8-15-10-13(12)16-9-6-11-4-2-1-3-5-11/h1-5,7-8,10,16H,6,9H2,(H,17,18)
InChIKeyRNUGCABFGYLHIN-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-phenylethylamino)pyridine-4-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 3-(2-phenylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(2-phenylethylamino)pyridine-4-carboxylic acid (CID 71767872) is 3-(2-phenylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(2-phenylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(2-phenylethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCCc1ccccc1.
What is the InChIKey of 3-(2-phenylethylamino)pyridine-4-carboxylic acid?
The InChIKey is RNUGCABFGYLHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)12-7-8-15-10-13(12)16-9-6-11-4-2-1-3-5-11/h1-5,7-8,10,16H,6,9H2,(H,17,18).
What are the key properties of 3-(2-phenylethylamino)pyridine-4-carboxylic acid?
3-(2-phenylethylamino)pyridine-4-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 71767872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).