2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide

C12H18N2O3 — CID 143442159

IUPAC2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide
SMILESCCOCCn1cc(CC(=O)NC)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-3-17-7-6-14-9-10(4-5-12(14)16)8-11(15)13-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15)
InChIKeyCRAKPWXTTKFBSW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.17
Rot. Bonds6

About 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide

2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide (PubChem CID 143442159) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide
PubChem CID143442159
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide
SMILESCCOCCn1cc(CC(=O)NC)ccc1=O
InChIInChI=1S/C12H18N2O3/c1-3-17-7-6-14-9-10(4-5-12(14)16)8-11(15)13-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15)
InChIKeyCRAKPWXTTKFBSW-UHFFFAOYSA-N
XLogP0.17
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide?
The IUPAC name of 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide (CID 143442159) is 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide.
What is the SMILES notation for 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide?
The canonical SMILES for 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide is CCOCCn1cc(CC(=O)NC)ccc1=O.
What is the InChIKey of 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide?
The InChIKey is CRAKPWXTTKFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-7-6-14-9-10(4-5-12(14)16)8-11(15)13-2/h4-5,9H,3,6-8H2,1-2H3,(H,13,15).
What are the key properties of 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide?
2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide has a molecular weight of 238.29 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethoxyethyl)-6-oxo-3-pyridinyl]-N-methylacetamide is sourced from PubChem (CID 143442159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).