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CAS 1415147-02-2 3-Amino-N-ethyl-isonicotinamide molecular structure lightbox
CAS RN: 1415147-02-2

3-Amino-N-ethyl-isonicotinamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1415147-02-2
  • Purity/Analytical Methods: >99.0%
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1415147-02-2 / 3-amino-N-ethylpyridine-4-carboxamide

Standard CAS: 1415147-02-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415147-02-2
Multi CAS
No
Molecular Formula
C8H11N3O
Molecular Weight
165.190000
Exact Mass
165.090212
SMILES
CCNC(=O)C1=C(C=NC=C1)N
InChI
InChI=1S/C8H11N3O/c1-2-11-8(12)6-3-4-10-5-7(6)9/h3-5H,2,9H2,1H3,(H,11,12)
InChIKey
FRTCMFGQFXNBML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.66
TPSA
68.01

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.43

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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