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

C12H18N2O3 — CID 82064569

IUPACN-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCCC(C)NC(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C12H18N2O3/c1-4-8(2)14-11(16)7-17-12-9(3)13-6-5-10(12)15/h5-6,8H,4,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyGBQHRBZMHBAFBP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.98
Rot. Bonds5

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

N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (PubChem CID 82064569) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
PubChem CID82064569
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCCC(C)NC(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C12H18N2O3/c1-4-8(2)14-11(16)7-17-12-9(3)13-6-5-10(12)15/h5-6,8H,4,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyGBQHRBZMHBAFBP-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The IUPAC name of N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (CID 82064569) is N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is CCC(C)NC(=O)COc1c(C)[nH]ccc1=O.
What is the InChIKey of N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The InChIKey is GBQHRBZMHBAFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-8(2)14-11(16)7-17-12-9(3)13-6-5-10(12)15/h5-6,8H,4,7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is sourced from PubChem (CID 82064569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).