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

HCID 71222578

Notes Reactions

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Basic information

Standard SMILES: CC1(C)OB(c2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)OC1(C)C
InChIKey: IQVFDMZWBDBEHU-UHFFFAOYSA-N
Molecular formula: C19H20BN3O3
Average molar mass: 349.2 g/mol
Monoisotopic mass: 349.1597717

Names & identifiers

Preferred name: N-(4-cyanopyridin-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
IUPAC: N-(4-cyano-2-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Names & synonyms

N-(4-cyanopyridin-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide1418307-35-3starbld0000143SCHEMBL14630106SCHEMBL31294120IQVFDMZWBDBEHU-UHFFFAOYSA-NDA-45110

Database identifiers

PubChem CID: 71222578

Properties

Computed structural properties

Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 562

Related reactions

1 records

New reaction record

HRID 928327As productuspto-grants-2016_03

Compound notes

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