3-[2-[1-(t-Butoxycarbonyl)piperidin-4-ylmethoxy]-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide

HCID 86620005

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIKey: NWLVDWFMXLWPPU-UHFFFAOYSA-N
Molecular formula: C30H34ClN5O4S
Average molar mass: 596.1 g/mol

Names & identifiers

Preferred name: 3-[2-[1-(t-Butoxycarbonyl)piperidin-4-ylmethoxy]-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
IUPAC: tert-butyl 4-[[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]carbamothioyl]-5-methylphenoxy]methyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL4275059NWLVDWFMXLWPPU-UHFFFAOYSA-N3-[2-[1-(t-Butoxycarbonyl)piperidin-4-ylmethoxy]-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide

Database identifiers

PubChem CID: 86620005

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 138 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 41
Formal charge: 0
Complexity: 897

Related reactions

2 records

New reaction record

HRID 1239890As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1434847As productuspto-grants-2009_11

Compound notes

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