1H-Indole-3-carboxamide - CAS 1670-85-5

Catalog:	BB012353
Product Name:	1H-Indole-3-carboxamide
CAS:	1670-85-5
Synonyms:	1H-indole-3-carboxamide; 1H-indole-3-carboxamide

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Computed Properties

IUPAC Name:	1H-indole-3-carboxamide
Description:	1H-Indole-3-carboxamide (CAS# 1670-85-5) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	C1=CC=C2C(=C1)C(=CN2)C(=O)N
InChI:	InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
InChI Key:	LSGKMZLPZFPAIN-UHFFFAOYSA-N
MDL:	MFCD00460642
LogP:	2.15100

Publication Number	Title	Priority Date
WO-2021062319-A1	Indole carboxamide compounds and use thereof for the treatment of mycobacterial infections	20190926
US-2021079097-A1	Pd-l1-binding molecules comprising shiga toxin a subunit scaffolds	20190918
US-2021079098-A1	Pd-l1-binding molecules comprising shiga toxin a subunit scaffolds	20190918
WO-2021055816-A1	Pd-l1 binding molecules comprising shiga toxin a subunit scaffolds	20190918
WO-2021040393-A1	Indole carboxamide derivative and pharmaceutical composition containing same	20190826

PMID	Publication Date	Title	Journal
30280499	20190301	Application of an activity-based receptor bioassay to investigate the in vitro activity of selected indole- and indazole-3-carboxamide-based synthetic cannabinoids at CB1 and CB2 receptors	Drug testing and analysis
23088909	20121201	Synthesis of retinoid enhancers based on 2-aminobenzothiazoles for anti-cancer therapy	Bioorganic & medicinal chemistry
23042380	20121118	Palladium-catalyzed mono- and double-carbonylation of indoles with amines controllably leading to amides and α-ketoamides	Chemical communications (Cambridge, England)
22588582	20120901	Exploring the substructural space of indole-3-carboxamide derivatives binding to renin: a novel active-site spatial partitioning approach	Journal of molecular modeling
22749391	20120801	Detailed structure-activity relationship of indolecarboxamides as H4 receptor ligands	European journal of medicinal chemistry

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.063662883
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3