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N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-6-{[(tert-butoxycarbonyl)amino]amino}pyridine-3-carboxamide

N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-6-{[(tert-butoxycarbonyl)amino]amino}pyridine-3-carboxamide

CAS: 1840885-99-5

Formula: C19H31N7O6

SMILES: CC(C)(C)OC(=O)NNC1=NC=C(C=C1)C(=O)NCCOCCOCCOCCN=[N+]=[N-]

IUPAC: N-(2-{2-[2-(2-azidoethoxy)ethoxy]ethoxy}ethyl)-6-({[(tert-butoxy)carbonyl]amino}amino)pyridine-3-carboxamide

InChI: InChI=1S/C19H31N7O6/c1-19(2,3)32-18(28)25-24-16-5-4-15(14-22-16)17(27)21-6-8-29-10-12-31-13-11-30-9-7-23-26-20/h4-5,14H,6-13H2,1-3H3,(H,21,27)(H,22,24)(H,25,28)

Composition: C (50.32%), H (6.89%), N (21.62%), O (21.17%)

Molar Mass: 453.5

Atom Count: 63

Heavy Atom Count: 32

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 453.233581746
Formal Charge 0
FSP3 0.63
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 3
InChIKey HWQQBMDQCXUNFO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 117.42
Topological Polar Surface Area 149.47
Polarizability 43.78
Ring Count 1
Rotatable Bond Count 17

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1840885-99-5 $396.90-$1,304.10$396.90$793.80$1,304.10
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