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N-benzyl-5-{4-[2-(morpholin-4-yl)ethoxy]phenyl}pyridine-2-carboxamide

N-benzyl-5-{4-[2-(morpholin-4-yl)ethoxy]phenyl}pyridine-2-carboxamide

CAS: 897016-82-9

Formula: C25H27N3O3

SMILES: O=C(NCC1=CC=CC=C1)C1=NC=C(C=C1)C1=CC=C(OCCN2CCOCC2)C=C1

IUPAC: N-benzyl-5-{4-[2-(morpholin-4-yl)ethoxy]phenyl}pyridine-2-carboxamide

InChI: InChI=1S/C25H27N3O3/c29-25(27-18-20-4-2-1-3-5-20)24-11-8-22(19-26-24)21-6-9-23(10-7-21)31-17-14-28-12-15-30-16-13-28/h1-11,19H,12-18H2,(H,27,29)

Composition: C (71.92%), H (6.52%), N (10.06%), O (11.50%)

Molar Mass: 417.509

Atom Count: 58

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 417.205241741
Formal Charge 0
FSP3 0.28
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey XAGHFOWYLRVALA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.81
Topological Polar Surface Area 63.69
Polarizability 47.88
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 897016-82-9 $35.93-$371.50$35.93$52.74$61.92$177.34$220.15$371.50
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