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

HCID 25599

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Basic information

CAS: 13012-75-4
Standard SMILES: Cc1ccc(CNC(=O)CCNNC(=O)c2ccncc2)cc1
InChIKey: GPIDAZFHWYYNTC-UHFFFAOYSA-N
Molecular formula: C17H20N4O2
Average molar mass: 312.37 g/mol
Monoisotopic mass: 312.15862589

Names & identifiers

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

Names & synonyms

P 1261BRN 0492750ISONICOTINIC ACID, 2-(2-((p-METHYLBENZYL)CARBAMOYL)ETHYL)HYDRAZIDE13012-75-4DTXSID20156356RefChem:349684DTXCID8078847N-[(4-Methylphenyl)methyl]-3-[2-(pyridine-4-carbonyl)hydrazin-1-yl]propanamide

Database identifiers

CAS: 13012-75-4
PubChem CID: 25599
DTXSID: DTXSID20156356

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: 375

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