N-{4-[1-(1-naphthylaminocarbonyl)-piperidin-4-yl]-butyl}-3-(pyridin-3-yl)-acrylamide

HCID 54033739

Notes Reactions

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Basic information

Standard SMILES: O=C(C=Cc1cccnc1)NCCCCC1CCN(C(=O)Nc2cccc3ccccc23)CC1
InChIKey: LHLISGADCPGLQW-UHFFFAOYSA-N
Molecular formula: C28H32N4O2
Average molar mass: 456.6 g/mol

Names & identifiers

Preferred name: N-{4-[1-(1-naphthylaminocarbonyl)-piperidin-4-yl]-butyl}-3-(pyridin-3-yl)-acrylamide
IUPAC: N-naphthalen-1-yl-4-[4-(3-pyridin-3-ylprop-2-enoylamino)butyl]piperidine-1-carboxamide

Names & synonyms

SCHEMBL3080059LHLISGADCPGLQW-UHFFFAOYSA-NN-{4-[1-(1-naphthylaminocarbonyl)-piperidin-4-yl]-butyl}-3-(pyridin-3-yl) acrylamideN-{4-[1-(1-naphthylaminocarbonyl)-piperidin-4-yl]-butyl}-3-(pyridin-3-yl)-acrylamide

Database identifiers

PubChem CID: 54033739

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 74.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 34
Formal charge: 0
Complexity: 673

Related reactions

2 records

New reaction record

HRID 681736As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1294458As productuspto-grants-2007_07

Compound notes

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