CAS RN: 182159-58-6
3-Pyridinecarboxamide,6-(aminomethyl)-(9CI)
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.20251002 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS182159-58-6
- Purity/Analytical Methods: >99.0%
182159-58-6 / 6-(aminomethyl)pyridine-3-carboxamide
Basic Information
CAS
182159-58-6
Multi CAS
No
Molecular Formula
C7H9N3O
Molecular Weight
151.170000
Exact Mass
151.074562
SMILES
C1=CC(=NC=C1C(=O)N)CN
InChI
InChI=1S/C7H9N3O/c8-3-6-2-1-5(4-10-6)7(9)11/h1-2,4H,3,8H2,(H2,9,11)
InChIKey
FAXYPRPMUNHQLC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
40.65
TPSA
82
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-1.4
Consensus LogP
-0.69
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-3.9
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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