[email protected]
CAS 1353972-64-1 2-Chloro-N-piperidin-3-yl-nicotinaMide hydrochloride molecular structure lightbox
CAS RN: 1353972-64-1

2-Chloro-N-piperidin-3-yl-nicotinaMide hydrochloride

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251228 100mg In stock Shanghai Inquiry
Batchno.20250411 100mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250403 1g In stock Shanghai Inquiry
Batchno.20251230 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1353972-64-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1353972-64-1 / 2-chloro-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride

Standard CAS: 1353972-64-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353972-64-1
Multi CAS
No
Molecular Formula
C11H15Cl2N3O
Molecular Weight
276.160000
Exact Mass
275.059218
SMILES
C1CC(CNC1)NC(=O)C2=C(N=CC=C2)Cl.Cl
InChI
InChI=1S/C11H14ClN3O.ClH/c12-10-9(4-2-6-14-10)11(16)15-8-3-1-5-13-7-8;/h2,4,6,8,13H,1,3,5,7H2,(H,15,16);1H
InChIKey
BHWDMXGRQIXVOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.85
TPSA
54.02

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us