Chem 4 4 Aminophenoxy N Methylpicolinamide Dsrpl

Compound 364
  CheckMol                        TMF02:r0:m0
MF=C13H13N3O2 MW=243.26
 18 19  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5126   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3235    2.2689   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763    2.2689   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6352    1.5362   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5643    1.5362   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    1.2644    3.7815   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8524    2.2925   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5525    4.5378   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8406    3.8052   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5407    6.0504   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8288    6.8186   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8170    8.3312   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1169    6.0859   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1051    9.0993   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4049    6.8540   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3931    8.3666   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.6812    9.1347   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13 02  0  1  0  0
 12 14 01  0  1  0  0
 13 15 01  0  1  0  0
 14 16 02  0  1  0  0
 15 17 02  0  1  0  0
 17 18  1  0  0  0  0
  9 10 01  0  1  0  0
 16 17 01  0  1  0  0
M  END

4-(4-aminophenoxy)-N-methylpicolinamide

₹ 0.00 0.00

Chemical Name - 4-(4-aminophenoxy)-N-methylpicolinamide
Mol Weight - 243.265
Smiles - CNC(c1nccc(Oc(cc2)ccc2N)c1)=O

Property Name	Property Value
Mol Name	4-(4-aminophenoxy)-N-methylpicolinamide
Molweight	243.265
Monoisotopic Mass	243.100777
Clogp	0.8698
Clogs	-3.223
H Acceptors	5
H Donors	2
Total Surface Area	191.77
Relative Psa	0.31673
Polar Surface Area	77.24
Druglikeness	1.3395
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	low
Shape Index	0.66667
Molecular Flexibility	0.45283
Molecular Complexity	0.66621
Fragments	1
Non H Atoms	18
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	2
Amides	1
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	1
Smiles	CNC(c1nccc(Oc(cc2)ccc2N)c1)=O
InChIKey	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)
InChI	RXZZBPYPZLAEFC-UHFFFAOYSA-N

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4-(4-aminophenoxy)-N-methylpicolinamide