CAS RN: 2044836-36-2
5-(Piperazin-1-yl)pyridine-2-carboxamide
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.20250417 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2044836-36-2
- Purity/Analytical Methods: >99.0%
2044836-36-2 / 5-piperazin-1-ylpyridine-2-carboxamide
Basic Information
CAS
2044836-36-2
Multi CAS
No
Molecular Formula
C10H14N4O
Molecular Weight
206.240000
Exact Mass
206.116761
SMILES
C1CN(CCN1)C2=CN=C(C=C2)C(=O)N
InChI
InChI=1S/C10H14N4O/c11-10(15)9-2-1-8(7-13-9)14-5-3-12-4-6-14/h1-2,7,12H,3-6H2,(H2,11,15)
InChIKey
FOMJVEXHRKPMKA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
57.84
TPSA
71.25
LogP / Solubility
WLOGP
-0.41
MLOGP
-0.36
XLogP3
-0.5
Consensus LogP
-0.42
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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