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Home > Pyridines > 114174-69-5
114174-69-5 | 3-Pyridinecarboxamide, 1,4-dihydro-2-methyl-1-(phenylmethyl)-
CAS No: 114174-69-5 Catalog No: AG000AQR MDL No:
Product Description
Catalog Number:
AG000AQR
Chemical Name:
3-Pyridinecarboxamide, 1,4-dihydro-2-methyl-1-(phenylmethyl)-
CAS Number:
114174-69-5
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
1-benzyl-2-methyl-4H-pyridine-3-carboxamide
InChI:
InChI=1S/C14H16N2O/c1-11-13(14(15)17)8-5-9-16(11)10-12-6-3-2-4-7-12/h2-7,9H,8,10H2,1H3,(H2,15,17)
InChI Key:
NGTQCXIHZHLRNJ-UHFFFAOYSA-N
SMILES:
NC(=O)C1=C(C)N(C=CC1)Cc1ccccc1
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:
1.8
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