3-[2-acetoxy-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide

HCID 86620002

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC(=O)Oc1cc(C)ccc1C(=S)Nc1cccnc1C(=O)Nc1ccc(Cl)cn1
InChIKey: DULNCHGKAINBRG-UHFFFAOYSA-N
Molecular formula: C21H17ClN4O3S
Average molar mass: 440.9 g/mol

Names & identifiers

Preferred name: 3-[2-acetoxy-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
IUPAC: [2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]carbamothioyl]-5-methylphenyl] acetate

Names & synonyms

SCHEMBL4275046DULNCHGKAINBRG-UHFFFAOYSA-N3-[2-Acetoxy-4-methylthiobenzoylamino]-N-(5-chloro-pyridin-2-yl)pyridine-2-carboxamide3-[2-acetoxy-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide

Database identifiers

PubChem CID: 86620002

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 125 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 637

Related reactions

4 records

New reaction record

HRID 689279As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1211032As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1434845As productuspto-grants-2009_11

HRID 1434846As reactantuspto-grants-2009_11

Compound notes

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