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CAS 216079-39-9 N,N’-Bis(4-pyridinyl)-1,4-benzenedicarboxamide molecular structure lightbox
CAS RN: 216079-39-9

N,N’-Bis(4-pyridinyl)-1,4-benzenedicarboxamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: LINN914177
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216079-39-9 / 1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide

Standard CAS: 216079-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
216079-39-9
Multi CAS
No
Molecular Formula
C18H14N4O2
Molecular Weight
318.300000
Exact Mass
318.111676
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)C(=O)NC3=CC=NC=C3
InChI
InChI=1S/C18H14N4O2/c23-17(21-15-5-9-19-10-6-15)13-1-2-14(4-3-13)18(24)22-16-7-11-20-12-8-16/h1-12H,(H,19,21,23)(H,20,22,24)
InChIKey
SNQJBANMJKUVHW-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

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