(R)-N-(4-(tert-Butoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide

HCID 89908086

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Basic information

Standard SMILES: CC(C)(C)Oc1ccc(NC(=O)c2cnc(N3CC[C@@H](O)C3)c(-c3cncnc3)c2)cc1
InChIKey: RTISUPDPHBYBDL-LJQANCHMSA-N
Molecular formula: C24H27N5O3
Average molar mass: 433.5 g/mol

Names & identifiers

Preferred name: (R)-N-(4-(tert-Butoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide
IUPAC: 6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide

Names & synonyms

CHEMBL4111182SCHEMBL15393183RTISUPDPHBYBDL-LJQANCHMSA-NBDBM213627US9278981, 219(R)-N-(4-(tert-Butoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)nicotinamide

Database identifiers

PubChem CID: 89908086
ChEMBL: CHEMBL4111182

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 100 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 613

Related reactions

1 records

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HRID 924094As productuspto-grants-2016_03

Compound notes

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