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CAS 1203499-52-8 N-(2-Chloro-3-methylpyridin-4-yl)pivalamide molecular structure lightbox
CAS RN: 1203499-52-8

N-(2-Chloro-3-methylpyridin-4-yl)pivalamide

  • Product code: SSC-021202
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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 1203499-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1203499-52-8 / N-(2-chloro-3-methyl-4-pyridinyl)-2,2-dimethylpropanamide

N-(2-Chloro-3-methylpyridin-4-yl)pivalamide | MFCD13176624 | N-(2-chloro-3-methylpyridin-4-yl)-2,2-dimethylpropanamide

Standard CAS: 1203499-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1203499-52-8
Multi CAS
No
Molecular Formula
C11H15ClN2O
Molecular Weight
226.700000
Exact Mass
226.087291
SMILES
CC1=C(C=CN=C1Cl)NC(=O)C(C)(C)C
InChI
InChI=1S/C11H15ClN2O/c1-7-8(5-6-13-9(7)12)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)
InChIKey
WICFYEIKXTVWJR-UHFFFAOYSA-N
Synonyms
N-(2-Chloro-3-methylpyridin-4-yl)pivalamide MFCD13176624 N-(2-chloro-3-methylpyridin-4-yl)-2,2-dimethylpropanamide SCHEMBL22208034 DTXSID001198135

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.07
TPSA
41.99

LogP / Solubility

WLOGP
3.03
MLOGP
2.67
XLogP3
2.8
Consensus LogP
2.83
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly 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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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