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39627-98-0 | 2-Pyridinecarboxamide, N-(2,6-dimethylphenyl)-
CAS No: 39627-98-0 Catalog No: AG00I7SI MDL No:MFCD02931444
Product Description
Catalog Number:
AG00I7SI
Chemical Name:
2-Pyridinecarboxamide, N-(2,6-dimethylphenyl)-
CAS Number:
39627-98-0
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
MDL Number:
MFCD02931444
IUPAC Name:
N-(2,6-dimethylphenyl)pyridine-2-carboxamide
InChI:
InChI=1S/C14H14N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h3-9H,1-2H3,(H,16,17)
InChI Key:
SHZDEASIMRREIQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccn1)Nc1c(C)cccc1C
UNII:
759503XRFW
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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