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Home > Pyridines > 114261-04-0
114261-04-0 | 3-Pyridinecarboxamide, 1,4-dihydro-5-methyl-1-(phenylmethyl)-
CAS No: 114261-04-0 Catalog No: AG000AX5 MDL No:
Product Description
Catalog Number:
AG000AX5
Chemical Name:
3-Pyridinecarboxamide, 1,4-dihydro-5-methyl-1-(phenylmethyl)-
CAS Number:
114261-04-0
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
1-benzyl-5-methyl-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C14H16N2O/c1-11-7-13(14(15)17)10-16(8-11)9-12-5-3-2-4-6-12/h2-6,8,10H,7,9H2,1H3,(H2,15,17)
InChI Key:
WSSVJGKQDKTJEG-UHFFFAOYSA-N
SMILES:
CC1=CN(Cc2ccccc2)C=C(C1)C(=O)N
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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