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

C15H14N2O2 — CID 668241

IUPAC(E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H14N2O2/c1-19-13-8-5-12(6-9-13)7-10-15(18)17-14-4-2-3-11-16-14/h2-11H,1H3,(H,16,17,18)/b10-7+
InChIKeyHBSPUANUJWUJJO-JXMROGBWSA-N
MW254.29 g/mol
LogP2.74
Rot. Bonds4

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

(E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide (PubChem CID 668241) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
PubChem CID668241
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H14N2O2/c1-19-13-8-5-12(6-9-13)7-10-15(18)17-14-4-2-3-11-16-14/h2-11H,1H3,(H,16,17,18)/b10-7+
InChIKeyHBSPUANUJWUJJO-JXMROGBWSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide (CID 668241) is (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccn2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
The InChIKey is HBSPUANUJWUJJO-JXMROGBWSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-13-8-5-12(6-9-13)7-10-15(18)17-14-4-2-3-11-16-14/h2-11H,1H3,(H,16,17,18)/b10-7+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide has a molecular weight of 254.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 668241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).