2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide

C13H18N2O3 — CID 113231581

IUPAC2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide
SMILESCc1cccn(CC(=O)NC2CCOCC2)c1=O
InChIInChI=1S/C13H18N2O3/c1-10-3-2-6-15(13(10)17)9-12(16)14-11-4-7-18-8-5-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,14,16)
InChIKeyLOUOGVMKQFRWKH-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.45
Rot. Bonds3

About 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide

2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide (PubChem CID 113231581) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide
PubChem CID113231581
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide
SMILESCc1cccn(CC(=O)NC2CCOCC2)c1=O
InChIInChI=1S/C13H18N2O3/c1-10-3-2-6-15(13(10)17)9-12(16)14-11-4-7-18-8-5-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,14,16)
InChIKeyLOUOGVMKQFRWKH-UHFFFAOYSA-N
XLogP0.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide (CID 113231581) is 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide is Cc1cccn(CC(=O)NC2CCOCC2)c1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide?
The InChIKey is LOUOGVMKQFRWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-3-2-6-15(13(10)17)9-12(16)14-11-4-7-18-8-5-11/h2-3,6,11H,4-5,7-9H2,1H3,(H,14,16).
What are the key properties of 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide?
2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1-pyridinyl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 113231581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).