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CAS 1246617-43-5 3-(benzyloxy)-N-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide molecular structure lightbox
CAS RN: 1246617-43-5

3-(benzyloxy)-N-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide

  • Product code: SSC-028743
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1246617-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1246617-43-5 / N-methyl-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxamide

Standard CAS: 1246617-43-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246617-43-5
Multi CAS
No
Molecular Formula
C14H14N2O3
Molecular Weight
258.270000
Exact Mass
258.100442
SMILES
CNC(=O)C1=C(C(=O)C=CN1)OCC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O3/c1-15-14(18)12-13(11(17)7-8-16-12)19-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,15,18)(H,16,17)
InChIKey
JGNVDASSLNBGPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71.23
TPSA
71.19

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1.3
Consensus LogP
1.26
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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