N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide

C16H16FN3O2 — CID 108946374

IUPACN-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)NCc1ccccn1)NCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-13-6-4-12(5-7-13)10-19-15(21)9-16(22)20-11-14-3-1-2-8-18-14/h1-8H,9-11H2,(H,19,21)(H,20,22)
InChIKeyZEAHITZVCKZJKX-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.54
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108946374) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
PubChem CID108946374
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
SMILESO=C(CC(=O)NCc1ccccn1)NCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c17-13-6-4-12(5-7-13)10-19-15(21)9-16(22)20-11-14-3-1-2-8-18-14/h1-8H,9-11H2,(H,19,21)(H,20,22)
InChIKeyZEAHITZVCKZJKX-UHFFFAOYSA-N
XLogP1.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.54
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'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
1-[(4-fluorophenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969505
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113163380
N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
5-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pentanamide
CID 110298088
N'-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947561
2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(pyridin-2-ylmethylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 26744662
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide (CID 108946374) is N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide is O=C(CC(=O)NCc1ccccn1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is ZEAHITZVCKZJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-6-4-12(5-7-13)10-19-15(21)9-16(22)20-11-14-3-1-2-8-18-14/h1-8H,9-11H2,(H,19,21)(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide?
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 301.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108946374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).