2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide

C14H22N2O3 — CID 71709654

IUPAC2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide
SMILESCc1cc(=O)c(OCC(=O)NCCC(C)C)cn1C
InChIInChI=1S/C14H22N2O3/c1-10(2)5-6-15-14(18)9-19-13-8-16(4)11(3)7-12(13)17/h7-8,10H,5-6,9H2,1-4H3,(H,15,18)
InChIKeyQKABLKLVONEKTK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.23
Rot. Bonds6

About 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide

2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide (PubChem CID 71709654) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide
PubChem CID71709654
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide
SMILESCc1cc(=O)c(OCC(=O)NCCC(C)C)cn1C
InChIInChI=1S/C14H22N2O3/c1-10(2)5-6-15-14(18)9-19-13-8-16(4)11(3)7-12(13)17/h7-8,10H,5-6,9H2,1-4H3,(H,15,18)
InChIKeyQKABLKLVONEKTK-UHFFFAOYSA-N
XLogP1.23
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide (CID 71709654) is 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide is Cc1cc(=O)c(OCC(=O)NCCC(C)C)cn1C.
What is the InChIKey of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide?
The InChIKey is QKABLKLVONEKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)5-6-15-14(18)9-19-13-8-16(4)11(3)7-12(13)17/h7-8,10H,5-6,9H2,1-4H3,(H,15,18).
What are the key properties of 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide?
2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,6-dimethyl-4-oxo-3-pyridinyl)oxy]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 71709654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).