3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide

C16H16N2O3 — CID 737727

IUPAC3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C16H16N2O3/c1-20-14-5-3-12(11-15(14)21-2)4-6-16(19)18-13-7-9-17-10-8-13/h3-11H,1-2H3,(H,17,18,19)
InChIKeyJCUASQQZPPVRAH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.75
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide

3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 737727) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID737727
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2ccncc2)cc1OC
InChIInChI=1S/C16H16N2O3/c1-20-14-5-3-12(11-15(14)21-2)4-6-16(19)18-13-7-9-17-10-8-13/h3-11H,1-2H3,(H,17,18,19)
InChIKeyJCUASQQZPPVRAH-UHFFFAOYSA-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 ≤ 500284.31
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide (CID 737727) is 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide is COc1ccc(C=CC(=O)Nc2ccncc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is JCUASQQZPPVRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-5-3-12(11-15(14)21-2)4-6-16(19)18-13-7-9-17-10-8-13/h3-11H,1-2H3,(H,17,18,19).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide has a molecular weight of 284.31 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 3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 737727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).