N-(4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide

HCID 44580730
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Basic information

Standard SMILES
Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1-c1ccc2onc(C)c2c1
InChIKey
WODRSNVHNZQNNW-UHFFFAOYSA-N
Molecular formula
C25H24N4O2
Average molar mass
412.5 g/mol

Names & identifiers

Preferred name
N-(4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
IUPAC
N-[4-methyl-3-(3-methyl-1,2-benzoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

Names & synonyms

CHEMBL522893SCHEMBL3521625WODRSNVHNZQNNW-UHFFFAOYSA-NBDBM50265324N-(4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamideN-[4-Methyl-3-(3-methyl-1,2-benzisoxazol-5-yl)phenyl]-2-pyrrolidin-1-ylisonicotinamide

Database identifiers

PubChem CID
44580730
ChEMBL
CHEMBL522893

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
71.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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