N-(5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide , CAS No.1310383-24-4

CAS: 1310383-24-4 Cat. No.: N166916 Molecular Weight: 318.22 PubChem CID: 46318100

Synonyms

N-(5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide, AldrichCPR | MFCD13563040 | DTXSID40673575 | 1310383-24-4 | AKOS015841920 | N-(5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide | 2,2-dimeth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

N-(5-Methyl-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide, AldrichCPR | MFCD13563040 | DTXSID40673575 | 1310383-24-4 | AKOS015841920 | N-(5-Methyl-3-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide | 2, 2-dimeth

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2NC(=O)C(C)(C)C)C
• IUPAC Name: 2,2-dimethyl-N-[5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide
• InChIKey: PBTBPBSYLWBMPY-UHFFFAOYSA-N
• INCHI: 1S/C17H27BN2O3/c1-11-9-12(18-22-16(5,6)17(7,8)23-18)13(19-10-11)20-14(21)15(2,3)4/h9-10H,1-8H3,(H,19,20,21)
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2NC(=O)C(C)(C)C)C
• PubChem CID: 46318100
• Molecular Weight: 318.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Methylpyridines Imidolactams Heteroaromatic compounds Dioxaborolanes Boronic acid esters Secondary carboxylic acid amides Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - Methylpyridine - Pyridine - Imidolactam - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Boronic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Organic metalloid moeity - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 318.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 318.211 Da
• Monoisotopic Mass: 318.211 Da
• Topological Polar Surface Area: 60.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 443.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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