1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone

C14H13FN2O — CID 82101488

IUPAC1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
SMILESO=C(CNCc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O/c15-13-5-3-12(4-6-13)14(18)10-17-9-11-2-1-7-16-8-11/h1-8,17H,9-10H2
InChIKeyMYVDWVMGDYEANM-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.19
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone

1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone (PubChem CID 82101488) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
PubChem CID82101488
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
SMILESO=C(CNCc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O/c15-13-5-3-12(4-6-13)14(18)10-17-9-11-2-1-7-16-8-11/h1-8,17H,9-10H2
InChIKeyMYVDWVMGDYEANM-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258214
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-[(4-fluorophenyl)methyl]-3-(pyridin-3-ylmethylamino)propanamide
CID 109021011
2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
1-(4-methylphenyl)-3-(pyridin-3-ylmethylamino)propan-1-one
CID 94270981
1-(3-amino-4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82258581
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
3-methyl-1-(pyridin-3-ylmethylamino)butan-2-one;molecular hydrogen
CID 143466705
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
2-bromo-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 60874327

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone (CID 82101488) is 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone is O=C(CNCc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone?
The InChIKey is MYVDWVMGDYEANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-13-5-3-12(4-6-13)14(18)10-17-9-11-2-1-7-16-8-11/h1-8,17H,9-10H2.
What are the key properties of 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone?
1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone has a molecular weight of 244.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone is sourced from PubChem (CID 82101488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).