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914397-33-4

914397-33-4 | 4-Pyridinecarboxamide, N-(3-iodophenyl)-2-(1-piperidinyl)-

CAS No: 914397-33-4 Catalog No: AG006AQ1 MDL No:

Product Description

Catalog Number:
AG006AQ1
Chemical Name:
4-Pyridinecarboxamide, N-(3-iodophenyl)-2-(1-piperidinyl)-
CAS Number:
914397-33-4
Molecular Formula:
C17H18IN3O
Molecular Weight:
407.2488
IUPAC Name:
N-(3-iodophenyl)-2-piperidin-1-ylpyridine-4-carboxamide
InChI:
InChI=1S/C17H18IN3O/c18-14-5-4-6-15(12-14)20-17(22)13-7-8-19-16(11-13)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2,(H,20,22)
InChI Key:
XZANQYOTMCAWLF-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)NC(=O)c1ccnc(c1)N1CCCCC1

Properties

Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.049g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
407.255g/mol
Monoisotopic Mass:
407.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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