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5-Methoxy-N-phenylnicotinamide

CAT: 0127-OR1052456-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1052456-01Size:250 mg
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CAS Number
1138443-84-1
MDL Number
MFCD11857643
Purity
95%
Smiles
O=C(NC1=CC=CC=C1)C2=CN=CC(OC)=C2

Chemical Information

5-Methoxy-N-phenylnicotinamide
CAS Number1138443-84-1
PubChem CID46736751
IUPAC Name5-methoxy-N-phenylpyridine-3-carboxamide
Molecular FormulaC13H12N2O2
Molecular Weight228.25
XLogP1.7
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity252
SMILES
COC1=CN=CC(=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-17-12-7-10(8-14-9-12)13(16)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKey
JCZHMRPQYHZDCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-N-phenylnicotinamide
CAS: 1138443-84-1
CID: 46736751
Formula: C13H12N2O2
MW: 228.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.25
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass228.089877630
Monoisotopic Mass228.089877630
Topological Polar Surface Area51.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity252
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

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436859-015-Methoxy-n-phenylnicotinamide
432530-014-Formyl-5-methoxy-N-phenylnicotinamide
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