(E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide

C14H14N2O2 — CID 844091

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2ccccn2)o1
InChIInChI=1S/C14H14N2O2/c1-11-5-6-13(18-11)7-8-14(17)16-10-12-4-2-3-9-15-12/h2-9H,10H2,1H3,(H,16,17)/b8-7+
InChIKeyQGEMQFGIZFACQF-BQYQJAHWSA-N
MW242.28 g/mol
LogP2.31
Rot. Bonds4

About (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide (PubChem CID 844091) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
PubChem CID844091
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCc2ccccn2)o1
InChIInChI=1S/C14H14N2O2/c1-11-5-6-13(18-11)7-8-14(17)16-10-12-4-2-3-9-15-12/h2-9H,10H2,1H3,(H,16,17)/b8-7+
InChIKeyQGEMQFGIZFACQF-BQYQJAHWSA-N
XLogP2.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide (CID 844091) is (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCc2ccccn2)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
The InChIKey is QGEMQFGIZFACQF-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11-5-6-13(18-11)7-8-14(17)16-10-12-4-2-3-9-15-12/h2-9H,10H2,1H3,(H,16,17)/b8-7+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 844091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).