2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide

C11H12N2O3 — CID 54365611

IUPAC2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
SMILESCON(C)C(=O)C(C=O)=Cc1ccccn1
InChIInChI=1S/C11H12N2O3/c1-13(16-2)11(15)9(8-14)7-10-5-3-4-6-12-10/h3-8H,1-2H3
InChIKeyIZLUKAGIBTZCQI-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.68
Rot. Bonds4

About 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide

2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide (PubChem CID 54365611) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
PubChem CID54365611
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
SMILESCON(C)C(=O)C(C=O)=Cc1ccccn1
InChIInChI=1S/C11H12N2O3/c1-13(16-2)11(15)9(8-14)7-10-5-3-4-6-12-10/h3-8H,1-2H3
InChIKeyIZLUKAGIBTZCQI-UHFFFAOYSA-N
XLogP0.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide (CID 54365611) is 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide is CON(C)C(=O)C(C=O)=Cc1ccccn1.
What is the InChIKey of 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide?
The InChIKey is IZLUKAGIBTZCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-13(16-2)11(15)9(8-14)7-10-5-3-4-6-12-10/h3-8H,1-2H3.
What are the key properties of 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide?
2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide has a molecular weight of 220.23 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 54365611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).