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

C18H20N2O — CID 39399792

IUPAC(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
SMILESCC(C)(C)c1ccc(NC(=O)/C=C/c2ccncc2)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)15-5-7-16(8-6-15)20-17(21)9-4-14-10-12-19-13-11-14/h4-13H,1-3H3,(H,20,21)/b9-4+
InChIKeyMERXXYQMQZFWQT-RUDMXATFSA-N
MW280.37 g/mol
LogP4.03
Rot. Bonds3

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

(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 39399792) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID39399792
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
SMILESCC(C)(C)c1ccc(NC(=O)/C=C/c2ccncc2)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)15-5-7-16(8-6-15)20-17(21)9-4-14-10-12-19-13-11-14/h4-13H,1-3H3,(H,20,21)/b9-4+
InChIKeyMERXXYQMQZFWQT-RUDMXATFSA-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'}

Analyze (E)-N-(4-tert-butylphenyl)-3-pyridin-4-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-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
3-(4-tert-butylphenyl)-N-quinoxalin-6-ylprop-2-enamide
CID 68870920
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
N-(4-tert-butylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 4136318
(E)-N-(4-tert-butylphenyl)-3-(4-methylsulfonylphenyl)prop-2-enamide
CID 6139845
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 5015585
(E)-1-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 11777637
4-tert-butyl-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17111353
N-[4-(acetylsulfamoyl)phenyl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 1370866

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide (CID 39399792) is (E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide is CC(C)(C)c1ccc(NC(=O)/C=C/c2ccncc2)cc1.
What is the InChIKey of (E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is MERXXYQMQZFWQT-RUDMXATFSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)15-5-7-16(8-6-15)20-17(21)9-4-14-10-12-19-13-11-14/h4-13H,1-3H3,(H,20,21)/b9-4+.
What are the key properties of (E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide?
(E)-N-(4-tert-butylphenyl)-3-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)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 39399792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).