(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide

C17H18N2O — CID 34908465

IUPAC(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccncc2)cc1
InChIInChI=1S/C17H18N2O/c1-13(2)15-4-6-16(7-5-15)19-17(20)8-3-14-9-11-18-12-10-14/h3-13H,1-2H3,(H,19,20)/b8-3+
InChIKeyWHVKPDRYTXROCS-FPYGCLRLSA-N
MW266.34 g/mol
LogP3.86
Rot. Bonds4

About (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide

(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 34908465) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID34908465
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
SMILESCC(C)c1ccc(NC(=O)/C=C/c2ccncc2)cc1
InChIInChI=1S/C17H18N2O/c1-13(2)15-4-6-16(7-5-15)19-17(20)8-3-14-9-11-18-12-10-14/h3-13H,1-2H3,(H,19,20)/b8-3+
InChIKeyWHVKPDRYTXROCS-FPYGCLRLSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.86
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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Related Compounds

(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
(E)-3-[4-(methylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 25391728
N-[4-(acetylcarbamothioylamino)phenyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5121311
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353
3-(4-propan-2-ylphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 806937
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 785785
ethyl 4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 766245
ethyl 4-[3-(4-propan-2-ylphenyl)prop-2-enoylamino]benzoate
CID 766243

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide (CID 34908465) is (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide is CC(C)c1ccc(NC(=O)/C=C/c2ccncc2)cc1.
What is the InChIKey of (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is WHVKPDRYTXROCS-FPYGCLRLSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(2)15-4-6-16(7-5-15)19-17(20)8-3-14-9-11-18-12-10-14/h3-13H,1-2H3,(H,19,20)/b8-3+.
What are the key properties of (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide?
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 266.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 34908465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).