(E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide

C18H20N2O — CID 898426

IUPAC(E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)15-7-4-14(5-8-15)6-9-17(21)20-16-10-12-19-13-11-16/h4-13H,1-3H3,(H,19,20,21)/b9-6+
InChIKeyZJPJQFBYPUWCEK-RMKNXTFCSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds3

About (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide

(E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 898426) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID898426
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)15-7-4-14(5-8-15)6-9-17(21)20-16-10-12-19-13-11-16/h4-13H,1-3H3,(H,19,20,21)/b9-6+
InChIKeyZJPJQFBYPUWCEK-RMKNXTFCSA-N
XLogP4.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.03
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)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide (CID 898426) is (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide is CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccncc2)cc1.
What is the InChIKey of (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is ZJPJQFBYPUWCEK-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)15-7-4-14(5-8-15)6-9-17(21)20-16-10-12-19-13-11-16/h4-13H,1-3H3,(H,19,20,21)/b9-6+.
What are the key properties of (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide?
(E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 280.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylphenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 898426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).