CAS RN: 6531-74-4
N-(aminoiminomethyl)-4-Pyridinecarboxamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250330 | 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS6531-74-4
- Purity/Analytical Methods: >99.0%
6531-74-4 / N-(diaminomethylidene)pyridine-4-carboxamide
Basic Information
CAS
6531-74-4
Multi CAS
Yes
Molecular Formula
C7H8N4O
Molecular Weight
164.160000
Exact Mass
164.069811
InChI
InChI=1S/C7H8N4O/c8-7(9)11-6(12)5-1-3-10-4-2-5/h1-4H,(H4,8,9,11,12)
InChIKey
HCMIDSSYADDADC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.38
TPSA
94.36
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.45
XLogP3
-0.2
Consensus LogP
-0.38
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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