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Home > Nitro Compounds > 833452-28-1
833452-28-1 | 2-Propynamide, N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]-3-phenyl-
CAS No: 833452-28-1 Catalog No: AG004SRT MDL No:
Product Description
Catalog Number:
AG004SRT
Chemical Name:
2-Propynamide, N-[1-(3-nitro-2-pyridinyl)-4-piperidinyl]-3-phenyl-
CAS Number:
833452-28-1
Molecular Formula:
C19H18N4O3
Molecular Weight:
350.3712
IUPAC Name:
N-[1-(3-nitropyridin-2-yl)piperidin-4-yl]-3-phenylprop-2-ynamide
InChI:
InChI=1S/C19H18N4O3/c24-18(9-8-15-5-2-1-3-6-15)21-16-10-13-22(14-11-16)19-17(23(25)26)7-4-12-20-19/h1-7,12,16H,10-11,13-14H2,(H,21,24)
InChI Key:
HUDKCHSCJNHTSY-UHFFFAOYSA-N
SMILES:
O=C(NC1CCN(CC1)c1ncccc1[N+](=O)[O-])C#Cc1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.138g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.378g/mol
Monoisotopic Mass:
350.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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