CAS RN: 1142192-15-1
4-Amino-5-methoxynicotinonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250305 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA888082
1142192-15-1 / 4-amino-5-methoxypyridine-3-carbonitrile
4-Amino-5-methoxynicotinonitrile | 4-amino-5-methoxypyridine-3-carbonitrile | MFCD12026748
Basic Information
CAS
1142192-15-1
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
COC1=C(C(=CN=C1)C#N)N
InChI
InChI=1S/C7H7N3O/c1-11-6-4-10-3-5(2-8)7(6)9/h3-4H,1H3,(H2,9,10)
InChIKey
MPQVJUVEJGVQPN-UHFFFAOYSA-N
Synonyms
4-Amino-5-methoxynicotinonitrile
4-amino-5-methoxypyridine-3-carbonitrile
MFCD12026748
SCHEMBL27294895
DTXSID00673930
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.92
TPSA
71.93
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.4
Consensus LogP
0.47
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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