Mrv1909 08271917582D          

  7  7  0  0  0  0            999 V2000
   -0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  4  2  0  0  0  0
  1  2  2  0  0  0  0
  2  5  1  0  0  0  0
  5  3  2  0  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
DB06637

> <DATABASE_NAME>
drugbank

> <SMILES>
NC1=CC=NC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)

> <INCHI_KEY>
NUKYPUAOHBNCPY-UHFFFAOYSA-N

> <FORMULA>
C5H6N2

> <MOLECULAR_WEIGHT>
94.1145

> <EXACT_MASS>
94.053098202

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
9.664739116572509

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,4-dihydropyridin-4-imine

> <ALOGPS_LOGP>
0.08

> <JCHEM_LOGP>
0.286413164

> <ALOGPS_LOGS>
0.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.035004622136803

> <JCHEM_PKA_STRONGEST_BASIC>
12.18299202251734

> <JCHEM_POLAR_SURFACE_AREA>
35.88

> <JCHEM_REFRACTIVITY>
40.08839999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.71e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-aminopyridine

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB06637

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Dalfampridine

> <SYNONYMS>
4-Aminopyridine; 4-AP; 4-Pyridinamine; 4-Pyridylamine; Dalfampridine; Fampridina; Fampridine; Fampridinum; p-Aminopyridine; γ-Aminopyridine

> <PRODUCTS>
Ampyra; Dalfampridine; Fampridine Accord; Fampyra; PMS-fampridine; Taro-fampridine

> <INTERNATIONAL_BRANDS>
Avitrol; Fampridine-SR

$$$$