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1245649-71-1 | 1(2H)-Pyridinecarboxylic acid, 5,6-dihydro-2-oxo-4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester
CAS No: 1245649-71-1 Catalog No: AG000MCZ MDL No:
Product Description
Catalog Number:
AG000MCZ
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 5,6-dihydro-2-oxo-4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester
CAS Number:
1245649-71-1
Molecular Formula:
C17H22N2O3
Molecular Weight:
302.3682
IUPAC Name:
tert-butyl 4-(benzylamino)-6-oxo-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C17H22N2O3/c1-17(2,3)22-16(21)19-10-9-14(11-15(19)20)18-12-13-7-5-4-6-8-13/h4-8,11,18H,9-10,12H2,1-3H3
InChI Key:
WWBYQOACZOSPDK-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(=CC1=O)NCc1ccccc1)OC(C)(C)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.374g/mol
Monoisotopic Mass:
302.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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