CAS RN: 59-26-7
N,N-Diethylnicotinamide
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250803 | 1ml | In stock | Inquiry |
- Product code: ICTD0514
- Purity/Analytical Methods: >98.0%(GC)(T)
59-26-7 / N,N-diethylpyridine-3-carboxamide
Basic Information
CAS
59-26-7
Multi CAS
No
Molecular Formula
C10H14N2O
Molecular Weight
178.230000
Exact Mass
178.110613
InChI
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
InChIKey
NCYVXEGFNDZQCU-UHFFFAOYSA-N
Physical Properties
Melting Point
75 to 79 °F (NTP, 1992)
Boiling Point
565 to 572 °F at 760 mmHg (some decomposition) (NTP, 1992)
Density
1.058 to 1.066 at 77 °F (NTP, 1992)
Physical Description
Nicethamid appears as clear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth. (NTP, 1992)
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
51.49
TPSA
33.2
LogP / Solubility
WLOGP
1.56
MLOGP
1.37
XLogP3
0.3
Consensus LogP
1.08
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
