General Information of the Compound
Compound ID
CP0041621
Compound Name
N'-propan-2-ylpyridine-4-carbohydrazide
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Synonyms
1-Isonicotinoyl-2-isopropylhydrazine
4-Pyridinecarboxylic acid, 2-(1-methylethyl)hydrazide
54-92-2
BRN 0
C9H13N3O
CCRIS 9177
EINECS 200-218-8
Euphozid
IPRONIAZIDE
Iprazid
Iproniazida [INN-Spanish]
Iproniazide
Iproniazide [INN-French]
Iproniazidum [INN-Latin]
Iproniazyd [Polish]
Ipronid
Isonicotinic acid 2-isopropylhydrazide
Marsalid
Marsilid
N'-Isopropylisonicotinohydrazide
N'-Isopropylisonicotinoylhydrazide
N'-isopropylpyridine-4-carbohydrazide
P 887
Propilniazida
Rivivol
Ro 2-4572
UNII-D892HFI3XA
Yatrozide
iproniazid
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Structure
Formula
C9H13N3O
Molecular Weight
179.223
Canonical SMILES
CC(C)NNC(=O)c1ccncc1
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InChI
InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
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InChIKey
NYMGNSNKLVNMIA-UHFFFAOYSA-N
CAS
54-92-2
Physicochemical Property
logP
0.7244
Rotatable Bonds
3
Heavy Atom Count
13
Polar Areas
54.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3748
SID: 15195153
ChEMBL ID
CHEMBL92401
DrugBank ID
DB04818
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  3
1
IC50 = 2560 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 6560 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 6566 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1370 nM
2 IC50 = 2560 nM
3 IC50 = 3180 nM
4 IC50 = 4560 nM
5 IC50 = 5480 nM
6 IC50 = 5890 nM
7 IC50 = 5970 nM
8 IC50 = 6180 nM
9 IC50 = 6380 nM
10 IC50 = 6480 nM
11 IC50 = 6550 nM
12 IC50 = 6560 nM
13 IC50 = 6570 nM
14 IC50 = 6580 nM
15 IC50 = 6600 nM
16 IC50 = 6700 nM
17 IC50 = 6780 nM
18 IC50 = 6850 nM
19 IC50 = 6970 nM
20 IC50 = 7100 nM
21 IC50 = 7570 nM
Protein ID: PT01362, Amine oxidase [flavin-containing] B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4
 Cell Line Info 
Trichoplusia ni (Cabbage looper)  3
1
IC50 = 1950 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 7540 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 7547 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1350 nM
2 IC50 = 1780 nM
3 IC50 = 1950 nM
4 IC50 = 1970 nM
5 IC50 = 4320 nM
6 IC50 = 6930 nM
7 IC50 = 7480 nM
8 IC50 = 7500 nM
9 IC50 = 7540 nM
10 IC50 = 7590 nM
11 IC50 = 7650 nM
12 IC50 = 7690 nM
13 IC50 = 7810 nM
14 IC50 = 7820 nM
15 IC50 = 7890 nM
16 IC50 = 7970 nM
17 IC50 = 8040 nM
18 IC50 = 8240 nM
19 IC50 = 8350 nM
20 IC50 = 8500 nM
21 IC50 = 8960 nM
Clinical Information about the Compound
Drug 1 ( IPRONIAZIDE )
Drug Name IPRONIAZIDE
Target(s)
Monoamine oxidase type A (MAO-A)
 Target Info 
Inhibitor
Monoamine oxidase type B (MAO-B)
 Target Info 
Inhibitor