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

C12H18N2O3 — CID 82064565

IUPACN-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCCCCNC(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C12H18N2O3/c1-3-4-6-14-11(16)8-17-12-9(2)13-7-5-10(12)15/h5,7H,3-4,6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyTWCXBYDMMLJNGC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.98
Rot. Bonds6

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

N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (PubChem CID 82064565) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
PubChem CID82064565
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
SMILESCCCCNC(=O)COc1c(C)[nH]ccc1=O
InChIInChI=1S/C12H18N2O3/c1-3-4-6-14-11(16)8-17-12-9(2)13-7-5-10(12)15/h5,7H,3-4,6,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyTWCXBYDMMLJNGC-UHFFFAOYSA-N
XLogP0.98
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The IUPAC name of N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide (CID 82064565) is N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide.
What is the SMILES notation for N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The canonical SMILES for N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is CCCCNC(=O)COc1c(C)[nH]ccc1=O.
What is the InChIKey of N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
The InChIKey is TWCXBYDMMLJNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-4-6-14-11(16)8-17-12-9(2)13-7-5-10(12)15/h5,7H,3-4,6,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide?
N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide is sourced from PubChem (CID 82064565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).