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88329-49-1 | 4-Pyridinecarboxamide, N,N-bis(1-methylethyl)-3-(4-pyridinylcarbonyl)-
CAS No: 88329-49-1 Catalog No: AG0047CI MDL No:
Product Description
Catalog Number:
AG0047CI
Chemical Name:
4-Pyridinecarboxamide, N,N-bis(1-methylethyl)-3-(4-pyridinylcarbonyl)-
CAS Number:
88329-49-1
Molecular Formula:
C18H21N3O2
Molecular Weight:
311.3782
IUPAC Name:
N,N-di(propan-2-yl)-3-(pyridine-4-carbonyl)pyridine-4-carboxamide
InChI:
InChI=1S/C18H21N3O2/c1-12(2)21(13(3)4)18(23)15-7-10-20-11-16(15)17(22)14-5-8-19-9-6-14/h5-13H,1-4H3
InChI Key:
MXXAJHKCDONZTI-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)c1ccncc1C(=O)c1ccncc1)C(C)C)C
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.385g/mol
Monoisotopic Mass:
311.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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