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

C15H14FN3O2 — CID 108947513

IUPACN'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)NCc1ccccn1
InChIInChI=1S/C15H14FN3O2/c16-12-6-1-2-7-13(12)19-15(21)9-14(20)18-10-11-5-3-4-8-17-11/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyMNAZGIPKKAEDNU-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.87
Rot. Bonds5

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

N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108947513) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
PubChem CID108947513
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1F)NCc1ccccn1
InChIInChI=1S/C15H14FN3O2/c16-12-6-1-2-7-13(12)19-15(21)9-14(20)18-10-11-5-3-4-8-17-11/h1-8H,9-10H2,(H,18,20)(H,19,21)
InChIKeyMNAZGIPKKAEDNU-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'}

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Related Compounds

N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
N'-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947828
1-N'-(2-fluorophenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976690
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
2-fluoro-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 4781382
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide (CID 108947513) is N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide is O=C(CC(=O)Nc1ccccc1F)NCc1ccccn1.
What is the InChIKey of N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is MNAZGIPKKAEDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c16-12-6-1-2-7-13(12)19-15(21)9-14(20)18-10-11-5-3-4-8-17-11/h1-8H,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide?
N'-(2-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'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108947513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).