2-(5-methyl-2-pyridinyl)-5-oxohexanamide

C12H16N2O2 — CID 174310959

IUPAC2-(5-methyl-2-pyridinyl)-5-oxohexanamide
SMILESCC(=O)CCC(C(N)=O)c1ccc(C)cn1
InChIInChI=1S/C12H16N2O2/c1-8-3-6-11(14-7-8)10(12(13)16)5-4-9(2)15/h3,6-7,10H,4-5H2,1-2H3,(H2,13,16)
InChIKeyWFYATEVGDZPUSH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.33
Rot. Bonds5

About 2-(5-methyl-2-pyridinyl)-5-oxohexanamide

2-(5-methyl-2-pyridinyl)-5-oxohexanamide (PubChem CID 174310959) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)-5-oxohexanamide.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)-5-oxohexanamide
PubChem CID174310959
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(5-methyl-2-pyridinyl)-5-oxohexanamide
SMILESCC(=O)CCC(C(N)=O)c1ccc(C)cn1
InChIInChI=1S/C12H16N2O2/c1-8-3-6-11(14-7-8)10(12(13)16)5-4-9(2)15/h3,6-7,10H,4-5H2,1-2H3,(H2,13,16)
InChIKeyWFYATEVGDZPUSH-UHFFFAOYSA-N
XLogP1.33
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)-5-oxohexanamide?
The IUPAC name of 2-(5-methyl-2-pyridinyl)-5-oxohexanamide (CID 174310959) is 2-(5-methyl-2-pyridinyl)-5-oxohexanamide.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)-5-oxohexanamide?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)-5-oxohexanamide is CC(=O)CCC(C(N)=O)c1ccc(C)cn1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)-5-oxohexanamide?
The InChIKey is WFYATEVGDZPUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-6-11(14-7-8)10(12(13)16)5-4-9(2)15/h3,6-7,10H,4-5H2,1-2H3,(H2,13,16).
What are the key properties of 2-(5-methyl-2-pyridinyl)-5-oxohexanamide?
2-(5-methyl-2-pyridinyl)-5-oxohexanamide has a molecular weight of 220.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)-5-oxohexanamide is sourced from PubChem (CID 174310959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).