5-(Pyrimidin-5-yl)-6-(pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

HCID 89907890
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Basic information

Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCC2)c(-c2cncnc2)c1
InChIKey
GBFYKOBQAILFLJ-UHFFFAOYSA-N
Molecular formula
C21H18F3N5O2
Average molar mass
429.4 g/mol
Monoisotopic mass
429.14125932

Names & identifiers

Preferred name
5-(Pyrimidin-5-yl)-6-(pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
IUPAC
5-pyrimidin-5-yl-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

Names & synonyms

5-(Pyrimidin-5-yl)-6-(pyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideCHEMBL3898262SCHEMBL15392972BDBM213475US9278981, 67

Database identifiers

PubChem CID
89907890
ChEMBL
CHEMBL3898262

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
80.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
31

Related reactions

1 records
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Compound notes

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