4-Chloro-1-[(2-methoxycarbonyl-acetyl)-pyridin-2-ylmethyl-amino]-1H-pyrrole-2-carboxylic acid methyl ester

HCID 67230577
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Basic information

Standard SMILES
COC(=O)CC(=O)N(Cc1ccccn1)n1cc(Cl)cc1C(=O)OC
InChIKey
QJKHBYBHVNDVPZ-UHFFFAOYSA-N
Molecular formula
C16H16ClN3O5
Average molar mass
365.77 g/mol

Names & identifiers

Preferred name
4-Chloro-1-[(2-methoxycarbonyl-acetyl)-pyridin-2-ylmethyl-amino]-1H-pyrrole-2-carboxylic acid methyl ester
IUPAC
methyl 4-chloro-1-[(3-methoxy-3-oxopropanoyl)-(pyridin-2-ylmethyl)amino]pyrrole-2-carboxylate

Names & synonyms

SCHEMBL1966302QJKHBYBHVNDVPZ-UHFFFAOYSA-N4-Chloro-1-[(2-methoxycarbonyl-acetyl)-pyridin-2-ylmethyl-amino]-1H-pyrrole-2-carboxylic acid methyl ester

Database identifiers

PubChem CID
67230577

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
90.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
25

Related reactions

2 records
New reaction record

Compound notes

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