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1660114-31-7 | NIK SMI1
CAS No: 1660114-31-7 Catalog No: AG01FNPQ MDL No:
Product Description
Catalog Number:
AG01FNPQ
Chemical Name:
NIK SMI1
CAS Number:
1660114-31-7
Molecular Formula:
C20H19N3O4
Molecular Weight:
365.3826
IUPAC Name:
6-[3-[2-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-4-methoxypyridine-2-carboxamide
InChI:
InChI=1S/C20H19N3O4/c1-23-9-8-20(26,19(23)25)7-6-13-4-3-5-14(10-13)16-11-15(27-2)12-17(22-16)18(21)24/h3-5,10-12,26H,8-9H2,1-2H3,(H2,21,24)/t20-/m1/s1
InChI Key:
LQSHXYHWYGKAMX-HXUWFJFHSA-N
SMILES:
COc1cc(nc(c1)c1cccc(c1)C#C[C@]1(O)CCN(C1=O)C)C(=O)N
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
365.138g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.389g/mol
Monoisotopic Mass:
365.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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