Picolinamide - CAS 1452-77-3

Catalog:	BB009915
Product Name:	Picolinamide
CAS:	1452-77-3
Synonyms:	pyridine-2-carboxamide

Technical Data

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Computed Properties

IUPAC Name:	pyridine-2-carboxamide
Description:	Picolinamide acts as an inhibitor of poly (ADP-ribose) synthetase (PARP) of nuclei from rat pancreatic islet cells.
Molecular Weight:	122.12
Molecular Formula:	C6H6N2O
Canonical SMILES:	C1=CC=NC(=C1)C(=O)N
InChI:	InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)
InChI Key:	IBBMAWULFFBRKK-UHFFFAOYSA-N
Boiling Point:	143 °C / 20 mmHg
Melting Point:	106-108 °C
Density:	1.204 g/cm³
Appearance:	White to off white solid
MDL:	MFCD00023483
LogP:	0.88080

Publication Number	Title	Priority Date
US-2021189018-A1	Hyaluronic acid derivatives	20191220
WO-2021121420-A1	Benzopyrazole compound and intermediate, preparation method, and application thereof	20191220
WO-2021127375-A1	Hyaluronic acid derivatives	20191220
US-2021188882-A1	Surfactants for agricultural products	20191219
WO-2021123288-A1	Process and intermediates for the preparation of upadacitinib	20191219

PMID	Publication Date	Title	Journal
28943244	20171015	New 5-HT1A, 5HT2A and 5HT2C receptor ligands containing a picolinic nucleus: Synthesis, in vitro and in vivo pharmacological evaluation	Bioorganic & medicinal chemistry
26505898	20151112	Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies	Journal of medicinal chemistry
22862681	20120822	Anion complexation and transport by isophthalamide and dipicolinamide derivatives: DNA plasmid transformation in E. coli	Journal of the American Chemical Society
22670792	20120615	Palladium-catalyzed alkenylation and alkynylation of ortho-C(sp2)-H bonds of benzylamine picolinamides	Organic letters
22670815	20120615	Improved protocol for indoline synthesis via palladium-catalyzed intramolecular C(sp2)-H amination	Organic letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.048012819
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	56 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2