Isonicotinic acid, 2-(2-((o-methylbenzyl)carbamoyl)ethyl)hydrazide

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Basic information

CAS: 15806-15-2
Standard SMILES: Cc1ccccc1CNC(=O)CCNNC(=O)c1ccncc1
InChIKey: XAOMXCXVTGEQEG-UHFFFAOYSA-N
Molecular formula: C17H20N4O2
Average molar mass: 312.37 g/mol
Monoisotopic mass: 312.15862589

Names & identifiers

Preferred name: Isonicotinic acid, 2-(2-((o-methylbenzyl)carbamoyl)ethyl)hydrazide
IUPAC: N-[(2-methylphenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazinyl]propanamide

Names & synonyms

P 1250BRN 0492747ISONICOTINIC ACID, 2-(2-((o-METHYLBENZYL)CARBAMOYL)ETHYL)HYDRAZIDE15806-15-2DTXSID30166360RefChem:349682DTXCID3088851N-[(2-Methylphenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazin-1-yl]propanamide

Database identifiers

CAS: 15806-15-2
PubChem CID: 27494
DTXSID: DTXSID30166360

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 83.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 383

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Compound notes

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