1H-Indole-2-carboxamide - CAS 1670-84-4

Catalog:	BB012352
Product Name:	1H-Indole-2-carboxamide
CAS:	1670-84-4
Synonyms:	1H-indole-2-carboxamide; 1H-indole-2-carboxamide

Technical Data

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Computed Properties

IUPAC Name:	1H-indole-2-carboxamide
Description:	1H-Indole-2-carboxamide (CAS# 1670-84-4) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	C1=CC=C2C(=C1)C=C(N2)C(=O)N
InChI:	InChI=1S/C9H8N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h1-5,11H,(H2,10,12)
InChI Key:	VFHUJFBEFDVZPJ-UHFFFAOYSA-N
Boiling Point:	457.6 °C at 760 mmHg
Density:	1.328 g/cm³
MDL:	MFCD00231036
LogP:	1.96710

Publication Number	Title	Priority Date
CN-113024556-A	Preparation method of fused ring compound containing indole skeleton	20210401
CN-112778067-A	Method for synthesizing thioamide compound by using copper to catalyze 1,2, 3-thiodiazole compound and amine	20210129
CN-112625054-A	Indole ring substituted aminophenol oxygen radical zinc complex and preparation method and application thereof	20201228
CN-111825686-A	Oxazepino [3,2-b ] indole compound and synthetic method thereof	20200721
US-2021324082-A1	Pd-l1 targeting molecules comprising shiga toxin a subunit scaffolds	20200415

PMID	Publication Date	Title	Journal
31434039	20191115	Discovery of novel indolylarylsulfones as potent HIV-1 NNRTIs via structure-guided scaffold morphing	European journal of medicinal chemistry
24090347	20131114	Design, synthesis, and biological evaluation of indole-2-carboxamides: a promising class of antituberculosis agents	Journal of medicinal chemistry
23611124	20130523	Preliminary structure-activity relationships and biological evaluation of novel antitubercular indolecarboxamide derivatives against drug-susceptible and drug-resistant Mycobacterium tuberculosis strains	Journal of medicinal chemistry
22712652	20120726	New nitrogen containing substituents at the indole-2-carboxamide yield high potent and broad spectrum indolylarylsulfone HIV-1 non-nucleoside reverse transcriptase inhibitors	Journal of medicinal chemistry
21615150	20110714	Progress in structure based drug design for G protein-coupled receptors	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:	1.7