N-cyano-N'-(1,2-diphenylethyl)-3-pyridinecarboximidamide (HCID 19734548)

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Basic information

Standard SMILES: N#CNC(=NC(Cc1ccccc1)c1ccccc1)c1cccnc1
InChIKey: HLXXNIFIOLDGJK-UHFFFAOYSA-N
Molecular formula: C21H18N4
Average molar mass: 326.4 g/mol

Names & identifiers

Preferred name: N-cyano-N'-(1,2-diphenylethyl)-3-pyridinecarboximidamide
IUPAC: N-cyano-N'-(1,2-diphenylethyl)pyridine-3-carboximidamide

Names & synonyms

SCHEMBL9208909SCHEMBL9208912SCHEMBL9213965HLXXNIFIOLDGJK-UHFFFAOYSA-NN-cyano-N'-(1,2-diphenylethyl)-3 pyridinecarboximidamideN-cyano-N'-(1,2-diphenylethyl)-3-pyridinecarboximidamide

Database identifiers

PubChem CID: 19734548

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 61.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 466

Related reactions

4 records

New reaction record

HRID 327117As productuspto-grants-1993_12

HRID 374167As productuspto-grants-1992_11

HRID 1588540As productuspto-grants-1993_06

HRID 2145601As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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