2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide

C13H20N2O4 — CID 72901607

IUPAC2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide
SMILESCOCCCN(C)C(=O)Cn1cccc(OC)c1=O
InChIInChI=1S/C13H20N2O4/c1-14(7-5-9-18-2)12(16)10-15-8-4-6-11(19-3)13(15)17/h4,6,8H,5,7,9-10H2,1-3H3
InChIKeyOQRBVWVRSQUKGR-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.35
Rot. Bonds7

About 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide

2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide (PubChem CID 72901607) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide
PubChem CID72901607
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide
SMILESCOCCCN(C)C(=O)Cn1cccc(OC)c1=O
InChIInChI=1S/C13H20N2O4/c1-14(7-5-9-18-2)12(16)10-15-8-4-6-11(19-3)13(15)17/h4,6,8H,5,7,9-10H2,1-3H3
InChIKeyOQRBVWVRSQUKGR-UHFFFAOYSA-N
XLogP0.35
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide?
The IUPAC name of 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide (CID 72901607) is 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide is COCCCN(C)C(=O)Cn1cccc(OC)c1=O.
What is the InChIKey of 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide?
The InChIKey is OQRBVWVRSQUKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-14(7-5-9-18-2)12(16)10-15-8-4-6-11(19-3)13(15)17/h4,6,8H,5,7,9-10H2,1-3H3.
What are the key properties of 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide?
2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide has a molecular weight of 268.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxo-1-pyridinyl)-N-(3-methoxypropyl)-N-methylacetamide is sourced from PubChem (CID 72901607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).