(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide

C16H16N2O3 — CID 26592309

IUPAC(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2cccnc2)c1
InChIInChI=1S/C16H16N2O3/c1-20-14-6-7-15(21-2)12(10-14)5-8-16(19)18-13-4-3-9-17-11-13/h3-11H,1-2H3,(H,18,19)/b8-5+
InChIKeyVLOBOZTXZAGDKT-VMPITWQZSA-N
MW284.32 g/mol
LogP2.75
Rot. Bonds5

About (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide (PubChem CID 26592309) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide
PubChem CID26592309
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide
SMILESCOc1ccc(OC)c(/C=C/C(=O)Nc2cccnc2)c1
InChIInChI=1S/C16H16N2O3/c1-20-14-6-7-15(21-2)12(10-14)5-8-16(19)18-13-4-3-9-17-11-13/h3-11H,1-2H3,(H,18,19)/b8-5+
InChIKeyVLOBOZTXZAGDKT-VMPITWQZSA-N
XLogP2.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290
N,3-bis(2,5-dimethoxyphenyl)prop-2-enamide
CID 732464
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 46518249
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7962122
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
(E)-N-[3-(3-cyanopropoxy)phenyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 60531617
(E)-3-(2,5-dimethoxyphenyl)-N-(2-iodophenyl)prop-2-enamide
CID 2666320
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928
(E)-N-(4,5-dimethoxy-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 7751129
(E)-N-(2-acetylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8749582
(E)-3-(2,5-dimethoxyphenyl)-N-[2,6-di(propan-2-yl)phenyl]prop-2-enamide
CID 8779040

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide (CID 26592309) is (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)Nc2cccnc2)c1.
What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide?
The InChIKey is VLOBOZTXZAGDKT-VMPITWQZSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-6-7-15(21-2)12(10-14)5-8-16(19)18-13-4-3-9-17-11-13/h3-11H,1-2H3,(H,18,19)/b8-5+.
What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide?
(E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide has a molecular weight of 284.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,5-dimethoxyphenyl)-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 26592309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).