2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide

C12H17N3O3 — CID 55190015

IUPAC2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide
SMILESNc1ccc(=O)n(CC(=O)NC2CCCOC2)c1
InChIInChI=1S/C12H17N3O3/c13-9-3-4-12(17)15(6-9)7-11(16)14-10-2-1-5-18-8-10/h3-4,6,10H,1-2,5,7-8,13H2,(H,14,16)
InChIKeyQOIXHCXEWMOZHI-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.27
Rot. Bonds3

About 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide

2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide (PubChem CID 55190015) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide
PubChem CID55190015
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide
SMILESNc1ccc(=O)n(CC(=O)NC2CCCOC2)c1
InChIInChI=1S/C12H17N3O3/c13-9-3-4-12(17)15(6-9)7-11(16)14-10-2-1-5-18-8-10/h3-4,6,10H,1-2,5,7-8,13H2,(H,14,16)
InChIKeyQOIXHCXEWMOZHI-UHFFFAOYSA-N
XLogP-0.27
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide?
The IUPAC name of 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide (CID 55190015) is 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide.
What is the SMILES notation for 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide?
The canonical SMILES for 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide is Nc1ccc(=O)n(CC(=O)NC2CCCOC2)c1.
What is the InChIKey of 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide?
The InChIKey is QOIXHCXEWMOZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-9-3-4-12(17)15(6-9)7-11(16)14-10-2-1-5-18-8-10/h3-4,6,10H,1-2,5,7-8,13H2,(H,14,16).
What are the key properties of 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide?
2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-oxo-1-pyridinyl)-N-(oxan-3-yl)acetamide is sourced from PubChem (CID 55190015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).