3-[(4-Methoxybenzyl)amino]pyridine-4-carboxylic acid

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Basic information

Standard SMILES: COc1ccc(CNc2cnccc2C(=O)O)cc1
InChIKey: XKZFNTZMCLZYHZ-UHFFFAOYSA-N
Molecular formula: C14H14N2O3
Average molar mass: 258.27 g/mol

Names & identifiers

Preferred name: 3-[(4-Methoxybenzyl)amino]pyridine-4-carboxylic acid
IUPAC: 3-[(4-methoxyphenyl)methylamino]pyridine-4-carboxylic acid

Names & synonyms

AKOS0203304813-[(4-methoxybenzyl)amino]pyridine-4-carboxylic acidSCHEMBL4855920CHEMBL5899577US9611221, Example 7XKZFNTZMCLZYHZ-UHFFFAOYSA-NBDBM3141033[(4-methoxybenzyl)amino]pyridine-4-carboxylic acid

Database identifiers

PubChem CID: 59699608
ChEMBL: CHEMBL5899577

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 290

Related reactions

3 records

New reaction record

HRID 63038As productuspto-grants-2016_09

HRID 1525692As productuspto-grants-2015_07

HRID 1847145As productuspto-grants-2015_02

Compound notes

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