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Home > Indoles and Oxindole > 888473-40-3
888473-40-3 | 2-(1H-indol-3-yl)-2-oxo-N-[(pyridin-4-yl)methyl]acetamide
CAS No: 888473-40-3 Catalog No: AG00IV89 MDL No:MFCD00245381
Product Description
Catalog Number:
AG00IV89
Chemical Name:
2-(1H-indol-3-yl)-2-oxo-N-[(pyridin-4-yl)methyl]acetamide
CAS Number:
888473-40-3
Molecular Formula:
C16H13N3O2
Molecular Weight:
279.2933
MDL Number:
MFCD00245381
IUPAC Name:
2-(1H-indol-3-yl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
InChI:
InChI=1S/C16H13N3O2/c20-15(13-10-18-14-4-2-1-3-12(13)14)16(21)19-9-11-5-7-17-8-6-11/h1-8,10,18H,9H2,(H,19,21)
InChI Key:
QAINWRUZZWOIOA-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1c[nH]c2c1cccc2)NCc1ccncc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.299g/mol
Monoisotopic Mass:
279.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Refinement of the benzodiazepine receptor site topology by structure-activity relationships of new N-(heteroarylmethyl)indol-3-ylglyoxylamides. | Journal of medicinal chemistry 20060420 |
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