CAS RN: 1021871-28-2
2-AMino-5-MethylnicotinaMide
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.20260304 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1021871-28-2
- Purity/Analytical Methods: >99.0%
1021871-28-2 / 2-amino-5-methylpyridine-3-carboxamide
Basic Information
CAS
1021871-28-2
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
SMILES
CC1=CC(=C(N=C1)N)C(=O)N
InChI
InChI=1S/C7H9N3O/c1-4-2-5(7(9)11)6(8)10-3-4/h2-3H,1H3,(H2,8,10)(H2,9,11)
InChIKey
OZZGFHIDEHLFCN-UHFFFAOYSA-N
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
41.9
TPSA
82
LogP / Solubility
WLOGP
0.07
MLOGP
0.06
XLogP3
0.3
Consensus LogP
0.14
Log S (ESOL)
-1.16
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501
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