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78114-53-1 | 3-Pyridinecarboxamide, N-(2-methylpropyl)-
CAS No: 78114-53-1 Catalog No: AG0054ZD MDL No:
Product Description
Catalog Number:
AG0054ZD
Chemical Name:
3-Pyridinecarboxamide, N-(2-methylpropyl)-
CAS Number:
78114-53-1
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
N-(2-methylpropyl)pyridine-3-carboxamide
InChI:
InChI=1S/C10H14N2O/c1-8(2)6-12-10(13)9-4-3-5-11-7-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)
InChI Key:
BAXWVIIYISJVKQ-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)c1cccnc1)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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