(E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

C16H16N2O2 — CID 764040

IUPAC(E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-15-7-4-13(5-8-15)6-9-16(19)18-12-14-3-2-10-17-11-14/h2-11H,12H2,1H3,(H,18,19)/b9-6+
InChIKeyPXPASPJHPQXWFE-RMKNXTFCSA-N
MW268.32 g/mol
LogP2.42
Rot. Bonds5

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

(E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 764040) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID764040
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C16H16N2O2/c1-20-15-7-4-13(5-8-15)6-9-16(19)18-12-14-3-2-10-17-11-14/h2-11H,12H2,1H3,(H,18,19)/b9-6+
InChIKeyPXPASPJHPQXWFE-RMKNXTFCSA-N
XLogP2.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.42
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-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 764040) is (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2cccnc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is PXPASPJHPQXWFE-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-15-7-4-13(5-8-15)6-9-16(19)18-12-14-3-2-10-17-11-14/h2-11H,12H2,1H3,(H,18,19)/b9-6+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 268.32 g/mol, XLogP of 2.42, 5 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-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 764040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).