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CAS 10177-15-8 5-phenylpyridine-3-carboxamide molecular structure lightbox
CAS RN: 10177-15-8

5-phenylpyridine-3-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS10177-15-8
  • Purity/Analytical Methods: >99.0%
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10177-15-8 / 5-phenylpyridine-3-carboxamide

5-Phenylnicotinamide | 5-phenylpyridine-3-carboxamide | MFCD19688859

Standard CAS: 10177-15-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10177-15-8
Multi CAS
No
Molecular Formula
C12H10N2O
Molecular Weight
198.220000
Exact Mass
198.079313
SMILES
C1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)N
InChI
InChI=1S/C12H10N2O/c13-12(15)11-6-10(7-14-8-11)9-4-2-1-3-5-9/h1-8H,(H2,13,15)
InChIKey
NKMMJBMWTNPJCV-UHFFFAOYSA-N
Synonyms
5-Phenylnicotinamide 5-phenylpyridine-3-carboxamide MFCD19688859 5-phenyl-nicotinamide SCHEMBL2488476

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.19
TPSA
55.98

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.4
Consensus LogP
1.63
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

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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