2-(3-formylphenoxy)-N-pyridin-3-ylacetamide

C14H12N2O3 — CID 86685448

IUPAC2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
SMILESO=Cc1cccc(OCC(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H12N2O3/c17-9-11-3-1-5-13(7-11)19-10-14(18)16-12-4-2-6-15-8-12/h1-9H,10H2,(H,16,18)
InChIKeyAXYUAGBZYDRJJQ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.91
Rot. Bonds5

About 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide

2-(3-formylphenoxy)-N-pyridin-3-ylacetamide (PubChem CID 86685448) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
PubChem CID86685448
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
SMILESO=Cc1cccc(OCC(=O)Nc2cccnc2)c1
InChIInChI=1S/C14H12N2O3/c17-9-11-3-1-5-13(7-11)19-10-14(18)16-12-4-2-6-15-8-12/h1-9H,10H2,(H,16,18)
InChIKeyAXYUAGBZYDRJJQ-UHFFFAOYSA-N
XLogP1.91
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.91
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-(3,4-dichlorophenyl)-2-(3-formylphenoxy)acetamide
CID 2989004
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
N-pyridin-3-yl-2-[3-[(E)-2-quinolin-2-ylethenyl]phenoxy]acetamide
CID 110188934
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
N-pyridin-4-yl-2-pyridin-3-yloxyacetamide
CID 110487864
N,N-diethyl-3-[[2-(3-formylphenoxy)acetyl]amino]benzamide
CID 60607023
N-(3-chloro-4-fluorophenyl)-2-(3-formylphenoxy)acetamide
CID 17202080
2-(4-chlorophenoxy)-N-(3-formylphenyl)acetamide
CID 106912648
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
ethyl 4-[[2-(3-formylphenoxy)acetyl]amino]benzoate
CID 66489078

Frequently Asked Questions

What is the IUPAC name of 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide (CID 86685448) is 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide is O=Cc1cccc(OCC(=O)Nc2cccnc2)c1.
What is the InChIKey of 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide?
The InChIKey is AXYUAGBZYDRJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-9-11-3-1-5-13(7-11)19-10-14(18)16-12-4-2-6-15-8-12/h1-9H,10H2,(H,16,18).
What are the key properties of 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide?
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide has a molecular weight of 256.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formylphenoxy)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 86685448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).