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CAS 2328094-11-5 3-Pyridinecarboxamide, 2-amino-5-[3-(1-piperazinyl)phenyl]-N-4-pyridinyl- molecular structure lightbox
CAS RN: 2328094-11-5

3-Pyridinecarboxamide, 2-amino-5-[3-(1-piperazinyl)phenyl]-N-4-pyridinyl-

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250719 5mg / 10mg / 50mg Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS2328094-11-5
  • Purity/Analytical Methods: >99.0%
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2328094-11-5 / 2-amino-5-(3-piperazin-1-ylphenyl)-N-pyridin-4-ylpyridine-3-carboxamide

Standard CAS: 2328094-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2328094-11-5
Multi CAS
No
Molecular Formula
C21H22N6O
Molecular Weight
374.400000
Exact Mass
374.185509
SMILES
C1CN(CCN1)C2=CC=CC(=C2)C3=CC(=C(N=C3)N)C(=O)NC4=CC=NC=C4
InChI
InChI=1S/C21H22N6O/c22-20-19(21(28)26-17-4-6-23-7-5-17)13-16(14-25-20)15-2-1-3-18(12-15)27-10-8-24-9-11-27/h1-7,12-14,24H,8-11H2,(H2,22,25)(H,23,26,28)
InChIKey
YDMJAALVMGFGRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
111.36
TPSA
96.17

LogP / Solubility

WLOGP
2.39
MLOGP
2.12
XLogP3
1.9
Consensus LogP
2.14
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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