CAS RN: 1057682-05-9
(R)-6-(3-methylpiperazin-1-yl)nicotinonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260630 | 100mg / 250mg / 1g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS1057682-05-9
- Purity/Analytical Methods: >99.0%
1057682-05-9 / 6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
(R)-6-(3-Methylpiperazin-1-yl)nicotinonitrile | 6-[(3R)-3-Methylpiperazin-1-yl]pyridine-3-carbonitrile | MFCD17488802
Basic Information
CAS
1057682-05-9
Multi CAS
Yes
Molecular Formula
C11H14N4
Molecular Weight
202.260000
Exact Mass
202.121846
SMILES
C[C@@H]1CN(CCN1)C2=NC=C(C=C2)C#N
InChI
InChI=1S/C11H14N4/c1-9-8-15(5-4-13-9)11-3-2-10(6-12)7-14-11/h2-3,7,9,13H,4-5,8H2,1H3/t9-/m1/s1
InChIKey
USAKGOYBWIQOPV-SECBINFHSA-N
Synonyms
(R)-6-(3-Methylpiperazin-1-yl)nicotinonitrile
6-[(3R)-3-Methylpiperazin-1-yl]pyridine-3-carbonitrile
MFCD17488802
SCHEMBL3608512
SCHEMBL29902930
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.63
TPSA
51.95
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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