[email protected]
CAS 55119-42-1 N,N’-(1,4-phenylene)diisonicotinamide molecular structure lightbox
CAS RN: 55119-42-1

N,N’-(1,4-phenylene)diisonicotinamide

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250901 100mg In stock Shanghai Inquiry
Batchno.20250618 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260131 1g In stock Shanghai Inquiry
Batchno.20250627 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260123 5g In stock Shenzhen Inquiry
  • Product code: LINN914036
GET A QUOTE

55119-42-1 / N-[4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide

Standard CAS: 55119-42-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55119-42-1
Multi CAS
No
Molecular Formula
C18H14N4O2
Molecular Weight
318.300000
Exact Mass
318.111676
InChI
InChI=1S/C18H14N4O2/c23-17(13-5-9-19-10-6-13)21-15-1-2-16(4-3-15)22-18(24)14-7-11-20-12-8-14/h1-12H,(H,21,23)(H,22,24)
InChIKey
VFVBSQVONILYDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.82
TPSA
83.98

LogP / Solubility

WLOGP
2.98
MLOGP
2.64
XLogP3
1.5
Consensus LogP
2.37
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us