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CAS 103878-84-8 LAZABEMIDE molecular structure lightbox
CAS RN: 103878-84-8

LAZABEMIDE

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  • Product code: starshine_CAS103878-84-8
  • Purity/Analytical Methods: >99.0%
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103878-84-8 / N-(2-aminoethyl)-5-chloropyridine-2-carboxamide

Lazabemide | N-(2-aminoethyl)-5-chloropyridine-2-carboxamide | Lazabemida

Standard CAS: 103878-84-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103878-84-8
Multi CAS
Yes
Molecular Formula
C8H10ClN3O
Molecular Weight
199.640000
Exact Mass
199.051240
SMILES
C1=CC(=NC=C1Cl)C(=O)NCCN
InChI
InChI=1S/C8H10ClN3O/c9-6-1-2-7(12-5-6)8(13)11-4-3-10/h1-2,5H,3-4,10H2,(H,11,13)
InChIKey
JZXRLKWWVNUZRB-UHFFFAOYSA-N
Synonyms
Lazabemide N-(2-aminoethyl)-5-chloropyridine-2-carboxamide Lazabemida Ro 19-6327/000 DTXSID2048294

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.63
TPSA
68.01

LogP / Solubility

WLOGP
0.42
MLOGP
0.37
XLogP3
0.2
Consensus LogP
0.33
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.64

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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