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GNE-6776 50mg

CAT: 0628-A19439-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A19439-50Size:50 mg
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CAS Number
2009273-71-4

Chemical Information

6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide
CAS Number2009273-71-4
PubChem CID122531750
IUPAC Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide
Molecular FormulaC20H20N4O2
Molecular Weight348.4
XLogP2.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity467
SMILES
CCC1=C(C(=NC=C1C2=CN=C(C=C2)C(=O)NC)N)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
InChIKey
UCYSSYGGXOFJKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide
CAS: 2009273-71-4
CID: 122531750
Formula: C20H20N4O2
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass348.15862589
Monoisotopic Mass348.15862589
Topological Polar Surface Area101 Ų
Heavy Atom Count26
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes