CAS RN: 1076-23-9
3-hydroxy-N,N-dimethylpyridine-2-carboxamide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1076-23-9
- Purity/Analytical Methods: >99.0%
1076-23-9 / 3-hydroxy-N,N-dimethylpyridine-2-carboxamide
3-HYDROXY-N,N-DIMETHYLPICOLINAMIDE | 3-Hydroxy-N,N-dimethylpyridine-2-carboxamide | 3-HYDROXY-PYRIDINE-2-CARBOXYLIC ACID DIMETHYLAMIDE
Basic Information
CAS
1076-23-9
Multi CAS
Yes
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
CN(C)C(=O)C1=C(C=CC=N1)O
InChI
InChI=1S/C8H10N2O2/c1-10(2)8(12)7-6(11)4-3-5-9-7/h3-5,11H,1-2H3
InChIKey
KNPSJINBUZCDRE-UHFFFAOYSA-N
Synonyms
3-HYDROXY-N,N-DIMETHYLPICOLINAMIDE
3-Hydroxy-N,N-dimethylpyridine-2-carboxamide
3-HYDROXY-PYRIDINE-2-CARBOXYLIC ACID DIMETHYLAMIDE
MFCD12808037
EINECS 214-059-7
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.92
TPSA
53.43
LogP / Solubility
WLOGP
0.49
MLOGP
0.43
XLogP3
1.2
Consensus LogP
0.71
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
