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CAS 1138443-84-1 5-Methoxy-N-phenylnicotinamide molecular structure lightbox
CAS RN: 1138443-84-1

5-Methoxy-N-phenylnicotinamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1138443-84-1
  • Purity/Analytical Methods: >99.0%
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1138443-84-1 / 5-methoxy-N-phenylpyridine-3-carboxamide

5-Methoxy-N-phenylnicotinamide | 5-methoxy-N-phenylpyridine-3-carboxamide | MFCD11857643

Standard CAS: 1138443-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1138443-84-1
Multi CAS
No
Molecular Formula
C13H12N2O2
Molecular Weight
228.250000
Exact Mass
228.089878
SMILES
COC1=CN=CC(=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-17-12-7-10(8-14-9-12)13(16)15-11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKey
JCZHMRPQYHZDCK-UHFFFAOYSA-N
Synonyms
5-Methoxy-N-phenylnicotinamide 5-methoxy-N-phenylpyridine-3-carboxamide MFCD11857643 DTXSID40673838 AKOS015851679

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.18
TPSA
51.22

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
1.7
Consensus LogP
2.03
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

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

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