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CAS 59290-38-9 4-methyl-5-nitro-2-Pyridinecarboxamide molecular structure lightbox
CAS RN: 59290-38-9

4-methyl-5-nitro-2-Pyridinecarboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250614 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS59290-38-9
  • Purity/Analytical Methods: >99.0%
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59290-38-9 / 4-methyl-5-nitropyridine-2-carboxamide

Standard CAS: 59290-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59290-38-9
Multi CAS
No
Molecular Formula
C7H7N3O3
Molecular Weight
181.150000
Exact Mass
181.048741
InChI
InChI=1S/C7H7N3O3/c1-4-2-5(7(8)11)9-3-6(4)10(12)13/h2-3H,1H3,(H2,8,11)
InChIKey
MPBIFKVVEZHLCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.15
TPSA
99.12

LogP / Solubility

WLOGP
0.4
MLOGP
0.35
XLogP3
0.3
Consensus LogP
0.35
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
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)
-3.54

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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