(E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide

C13H12N2O2 — CID 898228

IUPAC(E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccco2)nc1
InChIInChI=1S/C13H12N2O2/c1-10-4-6-12(14-9-10)15-13(16)7-5-11-3-2-8-17-11/h2-9H,1H3,(H,14,15,16)/b7-5+
InChIKeyFBWGPENBYWVVFF-FNORWQNLSA-N
MW228.25 g/mol
LogP2.63
Rot. Bonds3

About (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide (PubChem CID 898228) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
PubChem CID898228
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide
SMILESCc1ccc(NC(=O)/C=C/c2ccco2)nc1
InChIInChI=1S/C13H12N2O2/c1-10-4-6-12(14-9-10)15-13(16)7-5-11-3-2-8-17-11/h2-9H,1H3,(H,14,15,16)/b7-5+
InChIKeyFBWGPENBYWVVFF-FNORWQNLSA-N
XLogP2.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide (CID 898228) is (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide is Cc1ccc(NC(=O)/C=C/c2ccco2)nc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
The InChIKey is FBWGPENBYWVVFF-FNORWQNLSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-10-4-6-12(14-9-10)15-13(16)7-5-11-3-2-8-17-11/h2-9H,1H3,(H,14,15,16)/b7-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide has a molecular weight of 228.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(5-methyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 898228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).