structure of N-(3-methylpyridin-2-yl)pivalamide

N-(3-methylpyridin-2-yl)pivalamide

CAS No.: 86847-66-7
M. Wt: 192.25800
M. Fa: C11H16N2O
InChI Key: ZBCUAOCZXRLXRZ-UHFFFAOYSA-N

Names and Identifiers of N-(3-methylpyridin-2-yl)pivalamide

CAS Number

86847-66-7

IUPAC Name

2,2-dimethyl-N-(3-methylpyridin-2-yl)propanamide

InChI

InChI=1S/C11H16N2O/c1-8-6-5-7-12-9(8)13-10(14)11(2,3)4/h5-7H,1-4H3,(H,12,13,14)

InChIKey

ZBCUAOCZXRLXRZ-UHFFFAOYSA-N

Canonical SMILES

CC1=C(N=CC=C1)NC(=O)C(C)(C)C

Physical and chemical properties of N-(3-methylpyridin-2-yl)pivalamide

Exact Mass

192.12600

LogP

2.44760

Melting Point

85-88℃ (hexane )

Molecular Formula

C11H16N2O

Molecular Weight

192.25800

PSA

41.99000

Applications of N-(3-methylpyridin-2-yl)pivalamide

N-(3-methylpyridin-2-yl)pivalamide has several applications:

  • Medicinal Chemistry: It is investigated for its potential use as a drug candidate due to its biological activity.
  • Synthetic Organic Chemistry: The compound serves as an intermediate in the synthesis of other complex molecules.
  • Research Tool: It can be used in studies exploring enzyme interactions and receptor binding mechanisms.

Interaction Studies of N-(3-methylpyridin-2-yl)pivalamide

Interaction studies involving N-(3-methylpyridin-2-yl)pivalamide have revealed insights into its binding mechanisms with various biological targets. Notably, the compound's ability to form hydrogen bonds with active sites on enzymes or receptors may inhibit their activity. Additionally, the structural features contribute to its efficacy as an inhibitor in biochemical pathways, influencing its pharmacological properties.

Biological Activity of N-(3-methylpyridin-2-yl)pivalamide

N-(3-methylpyridin-2-yl)pivalamide exhibits significant biological activity, particularly in medicinal chemistry. Its structure allows it to interact with various biological targets, including enzymes and receptors. Research indicates that compounds with similar structures may exhibit antitumor activity and serve as inhibitors in various biochemical pathways. The unique positioning of the methyl group and pivalamide moiety contributes to its binding affinity and selectivity towards specific molecular targets.

Retrosynthesis analysis of N-(3-methylpyridin-2-yl)pivalamide

  • Route#1

    Cas:74-88-4
    Cas:86847-59-8
    Cas:86847-66-7
  • Route#2

    Cas:86847-59-8
    Cas:86847-66-7
  • Route#3

    Cas:1603-40-3
    Cas:3282-30-2
    Cas:86847-66-7