(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide

C21H24N2O — CID 86899439

IUPAC(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NC(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C21H24N2O/c24-21(13-12-18-9-6-14-22-16-18)23-20(19-10-4-5-11-19)15-17-7-2-1-3-8-17/h1-3,6-9,12-14,16,19-20H,4-5,10-11,15H2,(H,23,24)/b13-12+
InChIKeyAEHVDBQDJLWASX-OUKQBFOZSA-N
MW320.44 g/mol
LogP4.01
Rot. Bonds6

About (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 86899439) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID86899439
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NC(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C21H24N2O/c24-21(13-12-18-9-6-14-22-16-18)23-20(19-10-4-5-11-19)15-17-7-2-1-3-8-17/h1-3,6-9,12-14,16,19-20H,4-5,10-11,15H2,(H,23,24)/b13-12+
InChIKeyAEHVDBQDJLWASX-OUKQBFOZSA-N
XLogP4.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide (CID 86899439) is (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NC(Cc1ccccc1)C1CCCC1.
What is the InChIKey of (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is AEHVDBQDJLWASX-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(13-12-18-9-6-14-22-16-18)23-20(19-10-4-5-11-19)15-17-7-2-1-3-8-17/h1-3,6-9,12-14,16,19-20H,4-5,10-11,15H2,(H,23,24)/b13-12+.
What are the key properties of (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 320.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 86899439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).