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3-[6-amino-5-(6-ethoxynaphthalen-2-yl)pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

3-[6-amino-5-(6-ethoxynaphthalen-2-yl)pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

CAS: 1034297-58-9

Formula: C28H30N4O2

SMILES: CCOC1=CC=C2C=C(C=CC2=C1)C1=CC(=CN=C1N)C1=CC=CC(=C1)C(=O)NCCN(C)C

IUPAC: 3-[6-amino-5-(6-ethoxynaphthalen-2-yl)pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

InChI: InChI=1S/C28H30N4O2/c1-4-34-25-11-10-20-14-22(9-8-21(20)16-25)26-17-24(18-31-27(26)29)19-6-5-7-23(15-19)28(33)30-12-13-32(2)3/h5-11,14-18H,4,12-13H2,1-3H3,(H2,29,31)(H,30,33)

Composition: C (73.98%), H (6.65%), N (12.33%), O (7.04%)

Molar Mass: 454.574

Atom Count: 64

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 454.236876222
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XBDRAUPLGHAFCU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 138.84
Topological Polar Surface Area 80.48
Polarizability 56.21
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1034297-58-9 $60.09-$174.80$60.09$119.08$174.80
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