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CAS 101860-99-5 N-(4-Hydroxypyridin-3-yl)acetamide molecular structure lightbox
CAS RN: 101860-99-5

N-(4-Hydroxypyridin-3-yl)acetamide

  • Product code: SSC-002895
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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 101860-99-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

101860-99-5 / N-(4-oxo-1H-pyridin-3-yl)acetamide

N-(4-Hydroxypyridin-3-yl)acetamide | N-(4-oxo-1H-pyridin-3-yl)acetamide | MFCD12922744

Standard CAS: 101860-99-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101860-99-5
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
SMILES
CC(=O)NC1=CNC=CC1=O
InChI
InChI=1S/C7H8N2O2/c1-5(10)9-6-4-8-3-2-7(6)11/h2-4H,1H3,(H,8,11)(H,9,10)
InChIKey
DNUQYHWBYXTTIN-UHFFFAOYSA-N
Synonyms
N-(4-Hydroxypyridin-3-yl)acetamide N-(4-oxo-1H-pyridin-3-yl)acetamide MFCD12922744 SCHEMBL3194739 DTXSID10674054

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.37
TPSA
61.96

LogP / Solubility

WLOGP
0.33
MLOGP
0.29
XLogP3
-0.5
Consensus LogP
0.04
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.41

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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