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

C21H18N2O2 — CID 39953949

IUPAC(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
SMILESCOc1cccc(/C=C(/C(=O)Nc2ccncc2)c2ccccc2)c1
InChIInChI=1S/C21H18N2O2/c1-25-19-9-5-6-16(14-19)15-20(17-7-3-2-4-8-17)21(24)23-18-10-12-22-13-11-18/h2-15H,1H3,(H,22,23,24)/b20-15+
InChIKeyZLZKBMJFVLYLFH-HMMYKYKNSA-N
MW330.39 g/mol
LogP4.27
Rot. Bonds5

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

(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide (PubChem CID 39953949) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
PubChem CID39953949
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
SMILESCOc1cccc(/C=C(/C(=O)Nc2ccncc2)c2ccccc2)c1
InChIInChI=1S/C21H18N2O2/c1-25-19-9-5-6-16(14-19)15-20(17-7-3-2-4-8-17)21(24)23-18-10-12-22-13-11-18/h2-15H,1H3,(H,22,23,24)/b20-15+
InChIKeyZLZKBMJFVLYLFH-HMMYKYKNSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
CID 2928456
N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
CID 5038246
(E)-N-[[2-(methoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)-2-phenylprop-2-enamide
CID 33068115
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(2-amino-2-oxoethyl) 3-(3-methoxyphenyl)-2-phenylprop-2-enoate
CID 3291781
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-(3-bromophenyl)-2,3-diphenylprop-2-enamide
CID 19170307
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
2,3-diphenyl-N-pyrimidin-2-ylprop-2-enamide
CID 4121626
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide (CID 39953949) is (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide is COc1cccc(/C=C(/C(=O)Nc2ccncc2)c2ccccc2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide?
The InChIKey is ZLZKBMJFVLYLFH-HMMYKYKNSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-25-19-9-5-6-16(14-19)15-20(17-7-3-2-4-8-17)21(24)23-18-10-12-22-13-11-18/h2-15H,1H3,(H,22,23,24)/b20-15+.
What are the key properties of (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide?
(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide has a molecular weight of 330.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 39953949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).