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

C15H14N2O2 — CID 895797

IUPAC(E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1cccnc1
InChIInChI=1S/C15H14N2O2/c1-19-14-7-3-2-5-12(14)8-9-15(18)17-13-6-4-10-16-11-13/h2-11H,1H3,(H,17,18)/b9-8+
InChIKeyWHZDGAFVJYPQNM-CMDGGOBGSA-N
MW254.29 g/mol
LogP2.74
Rot. Bonds4

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

(E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide (PubChem CID 895797) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide
PubChem CID895797
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1cccnc1
InChIInChI=1S/C15H14N2O2/c1-19-14-7-3-2-5-12(14)8-9-15(18)17-13-6-4-10-16-11-13/h2-11H,1H3,(H,17,18)/b9-8+
InChIKeyWHZDGAFVJYPQNM-CMDGGOBGSA-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-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide (CID 895797) is (E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1cccnc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide?
The InChIKey is WHZDGAFVJYPQNM-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-14-7-3-2-5-12(14)8-9-15(18)17-13-6-4-10-16-11-13/h2-11H,1H3,(H,17,18)/b9-8+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-pyridin-3-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-(2-methoxyphenyl)-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 895797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).