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Home > Indoles and Oxindole > 118959-44-7
118959-44-7 | 1-Methyl-1H-indole-3-carboxamide
CAS No: 118959-44-7 Catalog No: AG00780D MDL No:
Product Description
Catalog Number:
AG00780D
Chemical Name:
1-Methyl-1H-indole-3-carboxamide
CAS Number:
118959-44-7
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
IUPAC Name:
1-methylindole-3-carboxamide
InChI:
InChI=1S/C10H10N2O/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H2,11,13)
InChI Key:
UHQHFXKJFJHBAE-UHFFFAOYSA-N
SMILES:
NC(=O)c1cn(c2c1cccc2)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Low molecular weight indole fragments as IMPDH inhibitors. | Bioorganic & medicinal chemistry letters 20060501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| Design and synthesis of orally active benzamide derivatives as potent serotonin 4 receptor agonist. | Bioorganic & medicinal chemistry 20030915 |
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