Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1208081-47-3 / 3-amino-5-methylpyridine-2-carboxamide
3-Amino-5-methylpyridine-2-carboxamide | 3-Amino-5-methylpicolinamide | 3-Amino-5-methyl-pyridine-2-carboxylic acid amide
Basic Information
CAS
1208081-47-3
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
SMILES
CC1=CC(=C(N=C1)C(=O)N)N
InChI
InChI=1S/C7H9N3O/c1-4-2-5(8)6(7(9)11)10-3-4/h2-3H,8H2,1H3,(H2,9,11)
InChIKey
REXAHTHRDYOUDP-UHFFFAOYSA-N
Synonyms
3-Amino-5-methylpyridine-2-carboxamide
3-Amino-5-methylpicolinamide
3-Amino-5-methyl-pyridine-2-carboxylic acid amide
3-Amino-2-carbamoyl-5-methylpyridine
MFCD15142820
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
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