2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide

C11H15FN2O2 — CID 156728270

IUPAC2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide
SMILESCC(C)CC(C(N)=O)n1cccc(F)c1=O
InChIInChI=1S/C11H15FN2O2/c1-7(2)6-9(10(13)15)14-5-3-4-8(12)11(14)16/h3-5,7,9H,6H2,1-2H3,(H2,13,15)
InChIKeyYWYUPEYTYFCCSQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.06
Rot. Bonds4

About 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide

2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide (PubChem CID 156728270) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide
PubChem CID156728270
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide
SMILESCC(C)CC(C(N)=O)n1cccc(F)c1=O
InChIInChI=1S/C11H15FN2O2/c1-7(2)6-9(10(13)15)14-5-3-4-8(12)11(14)16/h3-5,7,9H,6H2,1-2H3,(H2,13,15)
InChIKeyYWYUPEYTYFCCSQ-UHFFFAOYSA-N
XLogP1.06
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide?
The IUPAC name of 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide (CID 156728270) is 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide?
The canonical SMILES for 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide is CC(C)CC(C(N)=O)n1cccc(F)c1=O.
What is the InChIKey of 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide?
The InChIKey is YWYUPEYTYFCCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(2)6-9(10(13)15)14-5-3-4-8(12)11(14)16/h3-5,7,9H,6H2,1-2H3,(H2,13,15).
What are the key properties of 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide?
2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide has a molecular weight of 226.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-oxo-1-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 156728270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).