![CAS 6631-22-7 N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-4-carboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6631-22-7.gif)
CAS RN: 6631-22-7
N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-4-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260320 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6631-22-7
- Purity/Analytical Methods: >99.0%
6631-22-7 / N-[2-(pyridine-4-carbonylamino)ethyl]pyridine-4-carboxamide
Basic Information
CAS
6631-22-7
Multi CAS
Yes
Molecular Formula
C14H14N4O2
Molecular Weight
270.290000
Exact Mass
270.111676
InChI
InChI=1S/C14H14N4O2/c19-13(11-1-5-15-6-2-11)17-9-10-18-14(20)12-3-7-16-8-4-12/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKey
VZUZYYMFEBYFMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.14
TPSA
83.98
LogP / Solubility
WLOGP
0.64
MLOGP
0.57
Consensus LogP
0.4
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-3.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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