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Home > Pyridines > 1422061-51-5
1422061-51-5 | N,N-dimethyl-2-(2-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-1-yl)acetamide
CAS No: 1422061-51-5 Catalog No: AG01DHMB MDL No:
Product Description
Catalog Number:
AG01DHMB
Chemical Name:
N,N-dimethyl-2-(2-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-1-yl)acetamide
CAS Number:
1422061-51-5
Molecular Formula:
C13H19N3O2
Molecular Weight:
249.3089
IUPAC Name:
N,N-dimethyl-2-(2-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-1-yl)acetamide
InChI:
InChI=1S/C13H19N3O2/c1-15(2)13(18)9-16-11-6-8-14-7-5-10(11)3-4-12(16)17/h3-4,14H,5-9H2,1-2H3
InChI Key:
MXKQHXOCHCVIKD-UHFFFAOYSA-N
SMILES:
O=C(N(C)C)Cn1c(=O)ccc2c1CCNCC2
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.148g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.314g/mol
Monoisotopic Mass:
249.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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