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

C16H16N2O3 — CID 2306389

IUPAC(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(/C=C\C(=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)/b6-4-
InChIKeyJCUASQQZPPVRAH-XQRVVYSFSA-N
MW284.31 g/mol
LogP2.75
Rot. Bonds5

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

(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide (PubChem CID 2306389) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
PubChem CID2306389
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide
SMILESCOc1ccc(/C=C\C(=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)/b6-4-
InChIKeyJCUASQQZPPVRAH-XQRVVYSFSA-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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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 991012
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
(E)-N-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7914176
(E)-3-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]phenyl]-N-hydroxyprop-2-enamide
CID 88960787
(E)-3-(3,4-dimethoxyphenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 2676703
dimethyl 5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate
CID 1328960
(E)-3-(3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 6366846
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
(E)-3-(3,4-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 82639722

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide (CID 2306389) is (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide is COc1ccc(/C=C\C(=O)Nc2ccncc2)cc1OC.
What is the InChIKey of (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
The InChIKey is JCUASQQZPPVRAH-XQRVVYSFSA-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)/b6-4-.
What are the key properties of (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide?
(Z)-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 (Z)-3-(3,4-dimethoxyphenyl)-N-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 2306389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).