IUPAC name
2-[(pyridin-3-yl)formamido]ethyl nitrate
SMILES
[O-][N+](=O)OCCNC(=O)C1=CC=CN=C1
Compound class
Vitamin B Complex; Antihypertensive Agents; Anti-Arrhythmia Agents; Vasodilator Agents; Cardiovascular System; Cardiac Therapy; Vasodilators Used in Cardiac Diseases;
Therapeutic area
Used to treat angina.
Common name
Nicorandil
IUPAC name
2-[(pyridin-3-yl)formamido]ethyl nitrate
SMILES
[O-][N+](=O)OCCNC(=O)C1=CC=CN=C1
INCHI
InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)
FORMULA
C8H9N3O4
Common name
Nicorandil
IUPAC name
2-[(pyridin-3-yl)formamido]ethyl nitrate
Molecular weight
211.175
clogP
-0.376
clogS
-1.984
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
103.03
Number of Rings
1
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF04304 | pyridine-3-carboxamide |
|
n1cc(ccc1)C(=O)N | 0.0014 |
| FDBF04305 | N-methylpyridine-3-carboxamide |
|
CNC(=O)c1cnccc1 | 0.0003 |
| FDBF04306 | N-ethylpyridine-3-carboxamide |
|
CCNC(=O)c1cnccc1 | 0.0003 |
5 ,
1
