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CAS 937648-82-3 3-Methylpicolinamide molecular structure lightbox
CAS RN: 937648-82-3

3-Methylpicolinamide

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250203 250mg In stock Shanghai Inquiry
Batchno.20250112 50mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS937648-82-3
  • Purity/Analytical Methods: >99.0%
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937648-82-3 / 3-methylpyridine-2-carboxamide

Standard CAS: 937648-82-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
937648-82-3
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
InChI
InChI=1S/C7H8N2O/c1-5-3-2-4-9-6(5)7(8)10/h2-4H,1H3,(H2,8,10)
InChIKey
AIOUQYUFHADEHR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.49
TPSA
55.98

LogP / Solubility

WLOGP
0.49
MLOGP
0.42
XLogP3
0.4
Consensus LogP
0.44
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.07
Class (SILICOS-IT)
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)
-3.2

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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