CAS RN: 1061358-09-5
3-amino-N-methylisonicotinamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250227 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1061358-09-5
- Purity/Analytical Methods: >99.0%
1061358-09-5 / 3-amino-N-methylpyridine-4-carboxamide
3-Amino-N-methylisonicotinamide | 3-amino-N-methylpyridine-4-carboxamide | MFCD20482565
Basic Information
CAS
1061358-09-5
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
SMILES
CNC(=O)C1=C(C=NC=C1)N
InChI
InChI=1S/C7H9N3O/c1-9-7(11)5-2-3-10-4-6(5)8/h2-4H,8H2,1H3,(H,9,11)
InChIKey
RPBHWWDDKIEIFA-UHFFFAOYSA-N
Synonyms
3-Amino-N-methylisonicotinamide
3-amino-N-methylpyridine-4-carboxamide
MFCD20482565
SCHEMBL1232893
SCHEMBL2067727
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.04
TPSA
68.01
LogP / Solubility
WLOGP
0.02
MLOGP
0.01
Consensus LogP
0.01
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1061358-71-1 2-[2-Chloro-5-(trifluoroMethyl)pyridin-4-ylaMino]-N-MethylbenzaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1061358-71-1.gif)
