(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide

C16H12N2O3 — CID 57403040

IUPAC(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C16H12N2O3/c19-15(7-5-12-3-1-2-8-17-12)18-13-4-6-14-11(9-13)10-21-16(14)20/h1-9H,10H2,(H,18,19)/b7-5+
InChIKeyTZLVAFHLCDXOME-FNORWQNLSA-N
MW280.28 g/mol
LogP2.40
Rot. Bonds3

About (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide

(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 57403040) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide
PubChem CID57403040
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C16H12N2O3/c19-15(7-5-12-3-1-2-8-17-12)18-13-4-6-14-11(9-13)10-21-16(14)20/h1-9H,10H2,(H,18,19)/b7-5+
InChIKeyTZLVAFHLCDXOME-FNORWQNLSA-N
XLogP2.40
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-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

Related Compounds

(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
CID 713159
(Z)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-phenylprop-2-enamide
CID 22299082
(E)-N-[3-(benzenesulfonamido)phenyl]-3-pyridin-2-ylprop-2-enamide
CID 87045405
(E)-N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylprop-2-enamide
CID 86992530
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-pyridin-2-ylprop-2-enamide
CID 86992648
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 75417013
N-(3-oxo-1H-2-benzofuran-5-yl)pyridine-4-carboxamide
CID 571616
(2R)-N-(1-oxo-3H-2-benzofuran-5-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 97265807
N-(2-methyl-5-nitrophenyl)-3-pyridin-2-ylprop-2-enamide
CID 67494338
(E)-N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-pyridin-2-ylprop-2-enamide
CID 75391350
5-amino-3H-2-benzofuran-1-one;5-hydrazinyl-3H-2-benzofuran-1-one
CID 118174442
2-[(3-methylphenyl)methyl]-N-(1-oxo-3H-2-benzofuran-5-yl)pentanamide
CID 172759129

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide (CID 57403040) is (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)Nc1ccc2c(c1)COC2=O.
What is the InChIKey of (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is TZLVAFHLCDXOME-FNORWQNLSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15(7-5-12-3-1-2-8-17-12)18-13-4-6-14-11(9-13)10-21-16(14)20/h1-9H,10H2,(H,18,19)/b7-5+.
What are the key properties of (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide?
(E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 280.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-oxo-3H-2-benzofuran-5-yl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 57403040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).