N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide

C13H16N2O3 — CID 79793955

IUPACN-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
SMILESO=Cc1ccc(OCC(=O)NC2CCCC2)cn1
InChIInChI=1S/C13H16N2O3/c16-8-11-5-6-12(7-14-11)18-9-13(17)15-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,15,17)
InChIKeyJAIVMRLMJCFPEP-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.33
Rot. Bonds5

About N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide

N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide (PubChem CID 79793955) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
PubChem CID79793955
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
SMILESO=Cc1ccc(OCC(=O)NC2CCCC2)cn1
InChIInChI=1S/C13H16N2O3/c16-8-11-5-6-12(7-14-11)18-9-13(17)15-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,15,17)
InChIKeyJAIVMRLMJCFPEP-UHFFFAOYSA-N
XLogP1.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclopentyl-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 28561633
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
2-(4-acetylphenoxy)-N-cyclohexylacetamide
CID 2621514
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
2-(2-amino-4-formylphenoxy)-N-cyclopentylacetamide
CID 82057064
N-cyclopentyl-2-[4-(1-methylpyrazol-4-yl)phenoxy]acetamide
CID 119055385
N-cycloheptyl-2-(4-propanoylphenoxy)acetamide
CID 2549658

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide (CID 79793955) is N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide is O=Cc1ccc(OCC(=O)NC2CCCC2)cn1.
What is the InChIKey of N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide?
The InChIKey is JAIVMRLMJCFPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-8-11-5-6-12(7-14-11)18-9-13(17)15-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,15,17).
What are the key properties of N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide?
N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide has a molecular weight of 248.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 79793955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).