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88138-28-7 | 3-Pyridinecarboxamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS No: 88138-28-7 Catalog No: AG004H50 MDL No:
Product Description
Catalog Number:
AG004H50
Chemical Name:
3-Pyridinecarboxamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]oxy]phenyl]-
CAS Number:
88138-28-7
Molecular Formula:
C20H22N4O2
Molecular Weight:
350.4143
IUPAC Name:
N-[4-(5-imidazol-1-ylpentoxy)phenyl]pyridine-3-carboxamide
InChI:
InChI=1S/C20H22N4O2/c25-20(17-5-4-10-21-15-17)23-18-6-8-19(9-7-18)26-14-3-1-2-12-24-13-11-22-16-24/h4-11,13,15-16H,1-3,12,14H2,(H,23,25)
InChI Key:
XECVOKDTPXIXRC-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)Nc1ccc(cc1)OCCCCCn1cncc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.422g/mol
Monoisotopic Mass:
350.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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