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823793-34-6 | 5-Pyrimidinecarboxylic acid, 4-(1-piperidinyl)-2-(2-pyridinyl)-, ethyl ester
CAS No: 823793-34-6 Catalog No: AG004Y94 MDL No:
Product Description
Catalog Number:
AG004Y94
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-(1-piperidinyl)-2-(2-pyridinyl)-, ethyl ester
CAS Number:
823793-34-6
Molecular Formula:
C17H20N4O2
Molecular Weight:
312.3663
IUPAC Name:
ethyl 4-piperidin-1-yl-2-pyridin-2-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C17H20N4O2/c1-2-23-17(22)13-12-19-15(14-8-4-5-9-18-14)20-16(13)21-10-6-3-7-11-21/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChI Key:
VPSOYUWQDPAQNS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1N1CCCCC1)c1ccccn1
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.159g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.373g/mol
Monoisotopic Mass:
312.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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