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

C12H16N2O3 — CID 137450905

IUPACN-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccn(C2CCOCC2)c1=O
InChIInChI=1S/C12H16N2O3/c1-9(15)13-11-3-2-6-14(12(11)16)10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,13,15)
InChIKeyQECPLYMGOKIGCP-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.16
Rot. Bonds2

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

N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide (PubChem CID 137450905) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide
PubChem CID137450905
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccn(C2CCOCC2)c1=O
InChIInChI=1S/C12H16N2O3/c1-9(15)13-11-3-2-6-14(12(11)16)10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,13,15)
InChIKeyQECPLYMGOKIGCP-UHFFFAOYSA-N
XLogP1.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide (CID 137450905) is N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide is CC(=O)Nc1cccn(C2CCOCC2)c1=O.
What is the InChIKey of N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide?
The InChIKey is QECPLYMGOKIGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(15)13-11-3-2-6-14(12(11)16)10-4-7-17-8-5-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,13,15).
What are the key properties of N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide?
N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide has a molecular weight of 236.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 137450905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).