2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide

C12H18N2O3 — CID 82064567

IUPAC2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide
SMILESCc1[nH]ccc(=O)c1OCC(=O)NCC(C)C
InChIInChI=1S/C12H18N2O3/c1-8(2)6-14-11(16)7-17-12-9(3)13-5-4-10(12)15/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyFBXRCYHYYKPNPX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.83
Rot. Bonds5

About 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide

2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide (PubChem CID 82064567) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide
PubChem CID82064567
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide
SMILESCc1[nH]ccc(=O)c1OCC(=O)NCC(C)C
InChIInChI=1S/C12H18N2O3/c1-8(2)6-14-11(16)7-17-12-9(3)13-5-4-10(12)15/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyFBXRCYHYYKPNPX-UHFFFAOYSA-N
XLogP0.83
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide (CID 82064567) is 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide is Cc1[nH]ccc(=O)c1OCC(=O)NCC(C)C.
What is the InChIKey of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide?
The InChIKey is FBXRCYHYYKPNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)6-14-11(16)7-17-12-9(3)13-5-4-10(12)15/h4-5,8H,6-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide?
2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82064567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).