N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide

C15H14FN3O2 — CID 108947514

IUPACN'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C15H14FN3O2/c16-11-4-6-12(7-5-11)19-15(21)9-14(20)18-10-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyIENYHUNHIJOQTP-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.87
Rot. Bonds5

About N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide

N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108947514) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
PubChem CID108947514
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(F)cc1)NCc1ccccn1
InChIInChI=1S/C15H14FN3O2/c16-11-4-6-12(7-5-11)19-15(21)9-14(20)18-10-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyIENYHUNHIJOQTP-UHFFFAOYSA-N
XLogP1.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
5-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
CID 110298088
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide
CID 133108099
2-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999339
3-(4-fluorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)hexanamide
CID 110355632

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide (CID 108947514) is N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide is O=C(CC(=O)Nc1ccc(F)cc1)NCc1ccccn1.
What is the InChIKey of N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is IENYHUNHIJOQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-11-4-6-12(7-5-11)19-15(21)9-14(20)18-10-13-3-1-2-8-17-13/h1-8H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 287.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108947514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).