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4- (4-Aminophenoxy) -N-methylpicolinamide-d3

CAT: 0804-HY-W700259-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W700259-01Size:1 mg
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Description
4- (4-Aminophenoxy) -N-methylpicolinamide-d3 (4- (4-aminophenoxy) -N-methylpyridine-2-carboxamide-d3) is the deuterium labeled 4- (4-Aminophenoxy) -N-methylpicolinamide.
CAS Number
1189975-18-5
Product Name Alternative
4- (4-aminophenoxy) -N-methylpyridine-2-carboxamide-d3
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Smiles
O=C(C1=CC(OC2=CC=C(C=C2)N)=CC=N1)NC([2H])([2H])[2H]
Molecular Formula
C13H10D3N3O2
Molecular Weight
246.28
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

[4-(4-Aminophenoxy)(2-pyridyl)]-N-(methyl-d3)carboxamide
CAS Number1189975-18-5
PubChem CID46780323
IUPAC Name4-(4-aminophenoxy)-N-(trideuteriomethyl)pyridine-2-carboxamide
Molecular FormulaC13H13N3O2
Molecular Weight246.28
XLogP1.3
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity277
SMILES
[2H]C([2H])([2H])NC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)/i1D3
InChIKey
RXZZBPYPZLAEFC-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of [4-(4-Aminophenoxy)(2-pyridyl)]-N-(methyl-d3)carboxamide
CAS: 1189975-18-5
CID: 46780323
Formula: C13H13N3O2
MW: 246.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight246.28
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass246.119606904
Monoisotopic Mass246.119606904
Topological Polar Surface Area77.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity277
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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