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CAS 17750-23-1 3-Pyridinecarboxamide,1,4-dihydro-1-methyl-(9CI) molecular structure lightbox
CAS RN: 17750-23-1

3-Pyridinecarboxamide,1,4-dihydro-1-methyl-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251003 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS17750-23-1
  • Purity/Analytical Methods: >99.0%
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17750-23-1 / 1-methyl-4H-pyridine-3-carboxamide

Standard CAS: 17750-23-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17750-23-1
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
CN1C=CCC(=C1)C(=O)N
InChI
InChI=1S/C7H10N2O/c1-9-4-2-3-6(5-9)7(8)10/h2,4-5H,3H2,1H3,(H2,8,10)
InChIKey
HOERLBZJYLYWEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.8
TPSA
46.33

LogP / Solubility

WLOGP
0.2
MLOGP
0.17
XLogP3
-0.1
Consensus LogP
0.09
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.42

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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