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CAS 104915-66-4 Acetamide, N-(3-methyl-4-pyridinyl)- (9CI) molecular structure lightbox
CAS RN: 104915-66-4

Acetamide, N-(3-methyl-4-pyridinyl)- (9CI)

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Batchno.20250906 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS104915-66-4
  • Purity/Analytical Methods: >99.0%
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104915-66-4 / N-(3-methyl-4-pyridinyl)acetamide

N-(3-methylpyridin-4-yl)acetamide | Acetamide, N-(3-methyl-4-pyridinyl)- (9CI) | MFCD03265770

Standard CAS: 104915-66-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
104915-66-4
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
CC1=C(C=CN=C1)NC(=O)C
InChI
InChI=1S/C8H10N2O/c1-6-5-9-4-3-8(6)10-7(2)11/h3-5H,1-2H3,(H,9,10,11)
InChIKey
DHUDCBCQKIWLSB-UHFFFAOYSA-N
Synonyms
N-(3-methylpyridin-4-yl)acetamide Acetamide, N-(3-methyl-4-pyridinyl)- (9CI) MFCD03265770 WKY ACETAMIDE,N-(3-METHYL-PYRIDIN-4-YL)-

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.28
TPSA
41.99

LogP / Solubility

WLOGP
1.35
MLOGP
1.18
XLogP3
0.4
Consensus LogP
0.98
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
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)
-2.68

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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