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CAS 1018564-07-2 4-AMino-3-Methyl-N-(3-pyridylMethyl)benzaMide molecular structure lightbox
CAS RN: 1018564-07-2

4-AMino-3-Methyl-N-(3-pyridylMethyl)benzaMide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251115 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1018564-07-2
  • Purity/Analytical Methods: >99.0%
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1018564-07-2 / 4-amino-3-methyl-N-(pyridin-3-ylmethyl)benzamide

4-Amino-3-methyl-N-(3-pyridylmethyl)benzamide | 4-Amino-3-methyl-N-(pyridin-3-ylmethyl)benzamide | 4-amino-3-methyl-N-(3-pyridinylmethyl)Benzamide

Standard CAS: 1018564-07-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1018564-07-2
Multi CAS
Yes
Molecular Formula
C14H15N3O
Molecular Weight
241.290000
Exact Mass
241.121512
SMILES
CC1=C(C=CC(=C1)C(=O)NCC2=CN=CC=C2)N
InChI
InChI=1S/C14H15N3O/c1-10-7-12(4-5-13(10)15)14(18)17-9-11-3-2-6-16-8-11/h2-8H,9,15H2,1H3,(H,17,18)
InChIKey
HTFPDOYAARYLEZ-UHFFFAOYSA-N
Synonyms
4-Amino-3-methyl-N-(3-pyridylmethyl)benzamide 4-Amino-3-methyl-N-(pyridin-3-ylmethyl)benzamide 4-amino-3-methyl-N-(3-pyridinylmethyl)Benzamide MFCD10022000 AC1881

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
71
TPSA
68.01

LogP / Solubility

WLOGP
1.9
MLOGP
1.68
XLogP3
1.3
Consensus LogP
1.63
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-2.84

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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