CAS RN: 912761-62-7
N-ETHYL-N-METHYL-2-PIPERAZIN-1-YLNICOTINAMIDE
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.20251011 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS912761-62-7
- Purity/Analytical Methods: >99.0%
912761-62-7 / N-ethyl-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
Basic Information
CAS
912761-62-7
Multi CAS
No
Molecular Formula
C13H20N4O
Molecular Weight
248.320000
Exact Mass
248.163711
InChI
InChI=1S/C13H20N4O/c1-3-16(2)13(18)11-5-4-6-15-12(11)17-9-7-14-8-10-17/h4-6,14H,3,7-10H2,1-2H3
InChIKey
CMDQZBUDRBVXNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.95
TPSA
48.47
LogP / Solubility
WLOGP
0.58
MLOGP
0.52
XLogP3
0.5
Consensus LogP
0.53
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-3.82
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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