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1019995-16-4 | 3-Pyridinecarboxylic acid, 4-[(4-ethoxy-1,4-dioxobutyl)amino]-, ethyl ester
CAS No: 1019995-16-4 Catalog No: AG000672 MDL No:
Product Description
Catalog Number:
AG000672
Chemical Name:
3-Pyridinecarboxylic acid, 4-[(4-ethoxy-1,4-dioxobutyl)amino]-, ethyl ester
CAS Number:
1019995-16-4
Molecular Formula:
C14H18N2O5
Molecular Weight:
294.3031
IUPAC Name:
ethyl 4-[(4-ethoxy-4-oxobutanoyl)amino]pyridine-3-carboxylate
InChI:
InChI=1S/C14H18N2O5/c1-3-20-13(18)6-5-12(17)16-11-7-8-15-9-10(11)14(19)21-4-2/h7-9H,3-6H2,1-2H3,(H,15,16,17)
InChI Key:
MEUVJATVWDXVEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)Nc1ccncc1C(=O)OCC
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.307g/mol
Monoisotopic Mass:
294.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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