CAS 284462-78-8

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide

2.1.2 InChI

InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(5-6-16-12)18-10-4-2-3-9(14)7-10/h2-8H,14H2,1H3,(H,15,17)

2.1.3 InChI Key

DRPIVJDJDIQRFK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC=CC(=C2)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 284462-78-8

2. 4-(3-aminophenoxy)-n-methylpicolinamide

3. 4-(3-amino-phenoxy)-pyridine-2-carboxylic Acid Methylamide

4. Schembl177723

5. Dtxsid60635175

6. Zinc8764117

7. Akos005840556

8. 4-(3-aminophenoxy)-n-methyl-2-pyridinecarboxamide

9. A1-02566

10. 4-(3-aminophenoxy)pyridine-2-carboxylic Acid Methylamide

11. Z2186895224

2.3 Create Date

2007-12-12

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₃N₃O₂
Molecular Weight	243.26 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	243.100776666 g/mol
Monoisotopic Mass	243.100776666 g/mol
Topological Polar Surface Area	77.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	285
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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