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116229-33-5 | 3-Pyridinecarboxamide, N-[2-[(1-methylethyl)amino]-2-oxoethyl]-
CAS No: 116229-33-5 Catalog No: AG000BZ8 MDL No:
Product Description
Catalog Number:
AG000BZ8
Chemical Name:
3-Pyridinecarboxamide, N-[2-[(1-methylethyl)amino]-2-oxoethyl]-
CAS Number:
116229-33-5
Molecular Formula:
C11H15N3O2
Molecular Weight:
221.2557
IUPAC Name:
N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
InChI:
InChI=1S/C11H15N3O2/c1-8(2)14-10(15)7-13-11(16)9-4-3-5-12-6-9/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChI Key:
LONANUXSHFJBEH-UHFFFAOYSA-N
SMILES:
CC(NC(=O)CNC(=O)c1cccnc1)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.26g/mol
Monoisotopic Mass:
221.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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