2-(2-tert-Butoxycarbonylaminopyridin-4-ylmethylthio)pyridine-3-carboxylic acid

HCID 23150976
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Basic information

Standard SMILES
CC(C)(C)OC(=O)Nc1cc(CSc2ncccc2C(=O)O)ccn1
InChIKey
RBSZIHPVLIVNFQ-UHFFFAOYSA-N
Molecular formula
C17H19N3O4S
Average molar mass
361.4 g/mol

Names & identifiers

Preferred name
2-(2-tert-Butoxycarbonylaminopyridin-4-ylmethylthio)pyridine-3-carboxylic acid
IUPAC
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methylsulfanyl]pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL1940043RBSZIHPVLIVNFQ-UHFFFAOYSA-N2-(2-tert-Butoxycarbonylaminopyridin-4-ylmethylthio)pyridine-3-carboxylic acid

Database identifiers

PubChem CID
23150976

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
127 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
25

Related reactions

4 records
New reaction record

Linked notes

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