N-(4-isopropoxypyridin-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

HCID 90283479
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Basic information

Standard SMILES
CC(C)Oc1ccnc(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1
InChIKey
QBFAUPZJWJSTSB-UHFFFAOYSA-N
Molecular formula
C21H27BN2O4
Average molar mass
382.3 g/mol

Names & identifiers

Preferred name
N-(4-isopropoxypyridin-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
IUPAC
N-(4-propan-2-yloxy-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Names & synonyms

1620564-74-0SCHEMBL15878197QBFAUPZJWJSTSB-UHFFFAOYSA-NN-(4-isopropoxypyridin-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideDA-43608

Database identifiers

PubChem CID
90283479

Properties

Computed structural properties

Topological polar surface area
69.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
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Compound notes

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