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81253-04-5 | N-(AZA(1,3-DIOXOINDAN-2-YLIDENE)METHYL)-4-PYRIDYLFORMAMIDE
CAS No: 81253-04-5 Catalog No: AG01EIJO MDL No:MFCD00170381
Product Description
Catalog Number:
AG01EIJO
Chemical Name:
N-(AZA(1,3-DIOXOINDAN-2-YLIDENE)METHYL)-4-PYRIDYLFORMAMIDE
CAS Number:
81253-04-5
Molecular Formula:
C15H9N3O3
Molecular Weight:
279.2503
MDL Number:
MFCD00170381
IUPAC Name:
N-[(1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
InChI:
InChI=1S/C15H9N3O3/c19-13-10-3-1-2-4-11(10)14(20)12(13)17-18-15(21)9-5-7-16-8-6-9/h1-8H,(H,18,21)
InChI Key:
WBRLZIXEQFIXCQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)NN=c1c(=O)c2c(c1=O)cccc2
NSC Number:
54689
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.255g/mol
Monoisotopic Mass:
279.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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