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431056-19-8 | N-(3-Benzylamino-propyl)-isonicotinamide
CAS No: 431056-19-8 Catalog No: AG01FC4M MDL No:
Product Description
Catalog Number:
AG01FC4M
Chemical Name:
N-(3-Benzylamino-propyl)-isonicotinamide
CAS Number:
431056-19-8
Molecular Formula:
C16H19N3O
Molecular Weight:
269.3416
IUPAC Name:
N-[3-(benzylamino)propyl]pyridine-4-carboxamide
InChI:
InChI=1S/C16H19N3O/c20-16(15-7-11-17-12-8-15)19-10-4-9-18-13-14-5-2-1-3-6-14/h1-3,5-8,11-12,18H,4,9-10,13H2,(H,19,20)
InChI Key:
OGTYBPYVHPQGCG-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)NCCCNCc1ccccc1
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.153g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.348g/mol
Monoisotopic Mass:
269.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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