butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate

C15H21NO4 — CID 82064725

IUPACbutan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate
SMILESCCC(C)OC(=O)C(C)n1c(C)ccc(C(C)=O)c1=O
InChIInChI=1S/C15H21NO4/c1-6-10(3)20-15(19)11(4)16-9(2)7-8-13(12(5)17)14(16)18/h7-8,10-11H,6H2,1-5H3
InChIKeyUYPIMVGZSLLLQU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.26
Rot. Bonds5

About butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate

butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate (PubChem CID 82064725) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate.

Molecular Properties

Compound Namebutan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate
PubChem CID82064725
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebutan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate
SMILESCCC(C)OC(=O)C(C)n1c(C)ccc(C(C)=O)c1=O
InChIInChI=1S/C15H21NO4/c1-6-10(3)20-15(19)11(4)16-9(2)7-8-13(12(5)17)14(16)18/h7-8,10-11H,6H2,1-5H3
InChIKeyUYPIMVGZSLLLQU-UHFFFAOYSA-N
XLogP2.26
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate?
The IUPAC name of butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate (CID 82064725) is butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate.
What is the SMILES notation for butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate?
The canonical SMILES for butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate is CCC(C)OC(=O)C(C)n1c(C)ccc(C(C)=O)c1=O.
What is the InChIKey of butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate?
The InChIKey is UYPIMVGZSLLLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-6-10(3)20-15(19)11(4)16-9(2)7-8-13(12(5)17)14(16)18/h7-8,10-11H,6H2,1-5H3.
What are the key properties of butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate?
butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate has a molecular weight of 279.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-(3-acetyl-6-methyl-2-oxo-1-pyridinyl)propanoate is sourced from PubChem (CID 82064725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).