Methyl 6-amino-5-methylpyridine-3-carboxylate
CAS No.：
Cat. No.: SC261738
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Product Name :Methyl 6-amino-5-methylpyridine-3-carboxylate
Cat. No.: :SC261738
Purity / Specification :—
CAS No. :1184913-79-8
MDL No. :—
Molecular Formula :C8H10N2O2
LogP :0.70
Molecular Weight :166.18
TPSA :65.2
Category :CDMO
HSN Code :—
SMILES Code :COC(=O)c1cnc(N)c(C)c1
Melting Point :—
InChI Key : :GPVPKANRTZUMRQ-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 166.2 Da
LogP ≤ 5✓ 0.70
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i0.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 65.2Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.