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CAS 34757-95-4 3-Pyridinecarboxamide, 2-amino-N-(1-methylethyl)- molecular structure lightbox
CAS RN: 34757-95-4

3-Pyridinecarboxamide, 2-amino-N-(1-methylethyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS34757-95-4
  • Purity/Analytical Methods: >99.0%
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34757-95-4 / 2-amino-N-propan-2-ylpyridine-3-carboxamide

Standard CAS: 34757-95-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34757-95-4
Multi CAS
No
Molecular Formula
C9H13N3O
Molecular Weight
179.220000
Exact Mass
179.105862
InChI
InChI=1S/C9H13N3O/c1-6(2)12-9(13)7-4-3-5-11-8(7)10/h3-6H,1-2H3,(H2,10,11)(H,12,13)
InChIKey
MHDZUNSQLCWGAE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.25
TPSA
68.01

LogP / Solubility

WLOGP
0.8
MLOGP
0.7
XLogP3
2.1
Consensus LogP
1.2
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.24

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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