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116229-34-6 | 3-Pyridinecarboxamide, N-[3-[(1-methylethyl)amino]-3-oxopropyl]-
CAS No: 116229-34-6 Catalog No: AG000BZ7 MDL No:
Product Description
Catalog Number:
AG000BZ7
Chemical Name:
3-Pyridinecarboxamide, N-[3-[(1-methylethyl)amino]-3-oxopropyl]-
CAS Number:
116229-34-6
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
IUPAC Name:
N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-3-carboxamide
InChI:
InChI=1S/C12H17N3O2/c1-9(2)15-11(16)5-7-14-12(17)10-4-3-6-13-8-10/h3-4,6,8-9H,5,7H2,1-2H3,(H,14,17)(H,15,16)
InChI Key:
QICNAVAMYMCWQO-UHFFFAOYSA-N
SMILES:
CC(NC(=O)CCNC(=O)c1cccnc1)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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