N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide

C11H14N2O3 — CID 152558424

IUPACN-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide
SMILESO=C(Nc1cc(=O)cc[nH]1)C1CCOCC1
InChIInChI=1S/C11H14N2O3/c14-9-1-4-12-10(7-9)13-11(15)8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2,(H2,12,13,14,15)
InChIKeyYOZBGVFYOGEUNE-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.74
Rot. Bonds2

About N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide

N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide (PubChem CID 152558424) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide
PubChem CID152558424
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide
SMILESO=C(Nc1cc(=O)cc[nH]1)C1CCOCC1
InChIInChI=1S/C11H14N2O3/c14-9-1-4-12-10(7-9)13-11(15)8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2,(H2,12,13,14,15)
InChIKeyYOZBGVFYOGEUNE-UHFFFAOYSA-N
XLogP0.74
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide (CID 152558424) is N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide is O=C(Nc1cc(=O)cc[nH]1)C1CCOCC1.
What is the InChIKey of N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide?
The InChIKey is YOZBGVFYOGEUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9-1-4-12-10(7-9)13-11(15)8-2-5-16-6-3-8/h1,4,7-8H,2-3,5-6H2,(H2,12,13,14,15).
What are the key properties of N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide?
N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1H-pyridin-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 152558424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).