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N-[(4-aminophenyl)methyl]pyridine-2-carboxamide

HCID 60891447
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(CNC(=O)c2ccccn2)cc1
InChIKey
MPCFBAPLLQCJIZ-UHFFFAOYSA-N
Molecular formula
C13H13N3O
Average molar mass
227.26 g/mol

Names & identifiers

Preferred name
N-[(4-aminophenyl)methyl]pyridine-2-carboxamide
IUPAC
N-[(4-aminophenyl)methyl]pyridine-2-carboxamide

Names & synonyms

N-[(4-aminophenyl)methyl]pyridine-2-carboxamide408365-47-9SCHEMBL3550399MPCFBAPLLQCJIZ-UHFFFAOYSA-NN-(4-aminobenzyl)-2-pyridinecarboxamideDB-335223

Database identifiers

PubChem CID
60891447

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
68 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
249

Related reactions

2 records
New reaction record
HRID 116803 reaction equation
HRID 116803As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2234368 reaction equation
HRID 2234368As productuspto-grants-2010_05

Compound notes

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