3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide

C20H24N2O — CID 896291

IUPAC3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H24N2O/c1-14-12-15(2)21-18(13-14)22-19(23)11-8-16-6-9-17(10-7-16)20(3,4)5/h6-13H,1-5H3,(H,21,22,23)
InChIKeyYAZUIBCRVFRTJV-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.65
Rot. Bonds3

About 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide

3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide (PubChem CID 896291) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
PubChem CID896291
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide
SMILESCc1cc(C)nc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C20H24N2O/c1-14-12-15(2)21-18(13-14)22-19(23)11-8-16-6-9-17(10-7-16)20(3,4)5/h6-13H,1-5H3,(H,21,22,23)
InChIKeyYAZUIBCRVFRTJV-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.65
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

N-(4,6-dimethyl-2-pyridinyl)-3-phenylprop-2-enamide
CID 3439581
(E)-3-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 896549
3-(4-tert-butylphenyl)-N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]prop-2-enamide
CID 1317013
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 104619965
3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 3700792
(E)-3-(4-tert-butylphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 6273647
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
(E)-3-(3-aminophenyl)-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 115342702
3-(4-tert-butylphenyl)-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 4161099
(E)-3-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)prop-2-enamide
CID 2177723
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide (CID 896291) is 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide is Cc1cc(C)nc(NC(=O)C=Cc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
The InChIKey is YAZUIBCRVFRTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-12-15(2)21-18(13-14)22-19(23)11-8-16-6-9-17(10-7-16)20(3,4)5/h6-13H,1-5H3,(H,21,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide?
3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide has a molecular weight of 308.43 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-(4,6-dimethyl-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 896291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).