3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide

C16H17FN2O2 — CID 110730559

IUPAC3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide
SMILESCn1cc(CNC(=O)CCc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C16H17FN2O2/c1-19-11-13(5-9-16(19)21)10-18-15(20)8-4-12-2-6-14(17)7-3-12/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,18,20)
InChIKeyABJZXMCFPMNDLN-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.77
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide

3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide (PubChem CID 110730559) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide
PubChem CID110730559
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide
SMILESCn1cc(CNC(=O)CCc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C16H17FN2O2/c1-19-11-13(5-9-16(19)21)10-18-15(20)8-4-12-2-6-14(17)7-3-12/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,18,20)
InChIKeyABJZXMCFPMNDLN-UHFFFAOYSA-N
XLogP1.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
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N-[(4-fluoro-3-methylphenyl)methyl]-3-(4-fluorophenyl)propanamide
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4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
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5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
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2-(4-chlorophenoxy)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 110730520
3-(4-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]propanamide
CID 63311405
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
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3-(2,5-dioxopyrrol-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 75295671
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide (CID 110730559) is 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide is Cn1cc(CNC(=O)CCc2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide?
The InChIKey is ABJZXMCFPMNDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-19-11-13(5-9-16(19)21)10-18-15(20)8-4-12-2-6-14(17)7-3-12/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,18,20).
What are the key properties of 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide?
3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide has a molecular weight of 288.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 110730559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).