(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide

C21H18N2O — CID 53234949

IUPAC(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H18N2O/c1-17-10-12-18(13-11-17)14-15-21(24)23(19-7-3-2-4-8-19)20-9-5-6-16-22-20/h2-16H,1H3/b15-14+
InChIKeyDMUJDWBJYOANBF-CCEZHUSRSA-N
MW314.39 g/mol
LogP4.77
Rot. Bonds4

About (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide

(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide (PubChem CID 53234949) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide
PubChem CID53234949
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide
SMILESCc1ccc(/C=C/C(=O)N(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C21H18N2O/c1-17-10-12-18(13-11-17)14-15-21(24)23(19-7-3-2-4-8-19)20-9-5-6-16-22-20/h2-16H,1H3/b15-14+
InChIKeyDMUJDWBJYOANBF-CCEZHUSRSA-N
XLogP4.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-pyridin-2-yl-3-thiophen-2-ylprop-2-enamide
CID 4245267
3-(4-fluorophenyl)-N-[3-(4-fluorophenyl)prop-2-enoyl]-N-pyridin-2-ylprop-2-enamide
CID 4513066
N-ethyl-3-(4-methylphenyl)-N-phenylprop-2-enamide
CID 917661
(E)-3-(4-methylphenyl)-N-phenyl-N-propylprop-2-enamide
CID 126607669
ethyl N-phenyl-N-pyridin-2-ylcarbamate
CID 2783435
ethyl 3-oxo-3-(N-pyridin-2-ylanilino)propanoate
CID 135020038
3-[4-[methyl(pyridin-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 54128351
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(E)-N-cyclohexyl-3-phenyl-N-pyridin-2-ylprop-2-enamide
CID 800217
N,2-diphenyl-N-pyridin-2-ylacetamide
CID 24832254
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide (CID 53234949) is (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide is Cc1ccc(/C=C/C(=O)N(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide?
The InChIKey is DMUJDWBJYOANBF-CCEZHUSRSA-N. The full InChI is InChI=1S/C21H18N2O/c1-17-10-12-18(13-11-17)14-15-21(24)23(19-7-3-2-4-8-19)20-9-5-6-16-22-20/h2-16H,1H3/b15-14+.
What are the key properties of (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide?
(E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methylphenyl)-N-phenyl-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 53234949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).