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

C12H16N2O3 — CID 79794503

IUPACN,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(C=O)nc1
InChIInChI=1S/C12H16N2O3/c1-3-14(4-2)12(16)9-17-11-6-5-10(8-15)13-7-11/h5-8H,3-4,9H2,1-2H3
InChIKeyLKFHUVPNRRYFSJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.14
Rot. Bonds6

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

N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide (PubChem CID 79794503) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
PubChem CID79794503
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
SMILESCCN(CC)C(=O)COc1ccc(C=O)nc1
InChIInChI=1S/C12H16N2O3/c1-3-14(4-2)12(16)9-17-11-6-5-10(8-15)13-7-11/h5-8H,3-4,9H2,1-2H3
InChIKeyLKFHUVPNRRYFSJ-UHFFFAOYSA-N
XLogP1.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[(6-formyl-3-pyridinyl)oxy]acetate
CID 79794234
N,N-diethyl-2-[4-(2-oxoethyl)phenoxy]acetamide
CID 82362951
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 79788538
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-[(6-formyl-3-pyridinyl)oxy]-N-(3-methylbutan-2-yl)acetamide
CID 79794063
N,N-diethyl-2-[4-(ethylaminomethyl)phenoxy]acetamide
CID 43276989
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide
CID 146414088
N-cyclopentyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide
CID 79793955
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
(6-formyl-3-pyridinyl) carbamate
CID 175352673
5-pent-4-enoxypyridine-2-carbaldehyde
CID 79794228

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide?
The IUPAC name of N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide (CID 79794503) is N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide?
The canonical SMILES for N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide is CCN(CC)C(=O)COc1ccc(C=O)nc1.
What is the InChIKey of N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide?
The InChIKey is LKFHUVPNRRYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-14(4-2)12(16)9-17-11-6-5-10(8-15)13-7-11/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide?
N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide has a molecular weight of 236.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(6-formyl-3-pyridinyl)oxy]acetamide is sourced from PubChem (CID 79794503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).