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Home > Pyridines > 1422063-64-6
1422063-64-6 | 1-[(6-methylpyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-one
CAS No: 1422063-64-6 Catalog No: AG01DIBT MDL No:
Product Description
Catalog Number:
AG01DIBT
Chemical Name:
1-[(6-methylpyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-one
CAS Number:
1422063-64-6
Molecular Formula:
C16H19N3O
Molecular Weight:
269.3416
IUPAC Name:
1-[(6-methylpyridin-2-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepin-2-one
InChI:
InChI=1S/C16H19N3O/c1-12-3-2-4-14(18-12)11-19-15-8-10-17-9-7-13(15)5-6-16(19)20/h2-6,17H,7-11H2,1H3
InChI Key:
UHWNCVBKCJEFSE-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)Cn1c(=O)ccc2c1CCNCC2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.348g/mol
Monoisotopic Mass:
269.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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