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3-amino-N-(3-methylphenyl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-methylphenyl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

CAS: 496019-18-2

Formula: C20H16N4OS

SMILES: CC1=CC=CC(NC(=O)C2=C(N)C3=CC=C(N=C3S2)C2=CC=NC=C2)=C1

IUPAC: 3-amino-N-(3-methylphenyl)-6-(pyridin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

InChI: InChI=1S/C20H16N4OS/c1-12-3-2-4-14(11-12)23-19(25)18-17(21)15-5-6-16(24-20(15)26-18)13-7-9-22-10-8-13/h2-11H,21H2,1H3,(H,23,25)

Composition: C (66.65%), H (4.47%), N (15.54%), O (4.44%), S (8.89%)

Molar Mass: 360.44

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 360.104482325
Formal Charge 0
FSP3 0.05
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey UNUWGTMLDNSXPE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.86
Topological Polar Surface Area 80.9
Polarizability 40.52
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 496019-18-2 $51.35-$86.31$51.35$63.37$86.31
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