(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide

C16H16N2O — CID 47148246

IUPAC(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1cccnc1
InChIInChI=1S/C16H16N2O/c1-2-14-7-3-4-8-15(14)18-16(19)10-9-13-6-5-11-17-12-13/h3-12H,2H2,1H3,(H,18,19)/b10-9+
InChIKeyJTZGPFAZECLMFM-MDZDMXLPSA-N
MW252.32 g/mol
LogP3.30
Rot. Bonds4

About (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 47148246) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID47148246
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/c1cccnc1
InChIInChI=1S/C16H16N2O/c1-2-14-7-3-4-8-15(14)18-16(19)10-9-13-6-5-11-17-12-13/h3-12H,2H2,1H3,(H,18,19)/b10-9+
InChIKeyJTZGPFAZECLMFM-MDZDMXLPSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-ethylphenyl)-3-pyridin-3-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-(2-aminophenyl)-3-pyridin-3-ylprop-2-enamide
CID 168818983
2-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 68947325
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 97376539
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193
3-methyl-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43169386
N'-(2-ethylphenyl)but-2-enediamide
CID 131854117
(E)-N-[2-(methylaminomethyl)phenyl]-3-phenylprop-2-enamide
CID 43601058
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
N-[[2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926177

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide (CID 47148246) is (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide is CCc1ccccc1NC(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is JTZGPFAZECLMFM-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-14-7-3-4-8-15(14)18-16(19)10-9-13-6-5-11-17-12-13/h3-12H,2H2,1H3,(H,18,19)/b10-9+.
What are the key properties of (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 252.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylphenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 47148246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).