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21104-13-2 | 3-Pyridinecarboxamide, 1,4-dihydro-N-(phenylmethyl)-
CAS No: 21104-13-2 Catalog No: AG002L53 MDL No:
Product Description
Catalog Number:
AG002L53
Chemical Name:
3-Pyridinecarboxamide, 1,4-dihydro-N-(phenylmethyl)-
CAS Number:
21104-13-2
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
N-benzyl-1,4-dihydropyridine-3-carboxamide
InChI:
InChI=1S/C13H14N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-6,8,10,14H,7,9H2,(H,15,16)
InChI Key:
FMOUEDXIDMVMJW-UHFFFAOYSA-N
SMILES:
O=C(C1=CNC=CC1)NCc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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