(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide

C16H16N2O3 — CID 2547662

IUPAC(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(OC)nc2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-7-3-12(4-8-14)5-9-15(19)18-13-6-10-16(21-2)17-11-13/h3-11H,1-2H3,(H,18,19)/b9-5+
InChIKeyKDPPLWQPWMWDOG-WEVVVXLNSA-N
MW284.32 g/mol
LogP2.75
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide (PubChem CID 2547662) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
PubChem CID2547662
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(OC)nc2)cc1
InChIInChI=1S/C16H16N2O3/c1-20-14-7-3-12(4-8-14)5-9-15(19)18-13-6-10-16(21-2)17-11-13/h3-11H,1-2H3,(H,18,19)/b9-5+
InChIKeyKDPPLWQPWMWDOG-WEVVVXLNSA-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-(4-methoxyphenyl)-N-(2-methoxypyrimidin-5-yl)prop-2-enamide
CID 122301600
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812
(E)-3-(3,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 162395253
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 7550836
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-3-(4-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 954315
(E)-N-(3,4-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 790357
(E)-N-(3,4-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 897806
(E)-3-(4-methoxyphenyl)-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]prop-2-enamide
CID 122301086
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide (CID 2547662) is (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(OC)nc2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
The InChIKey is KDPPLWQPWMWDOG-WEVVVXLNSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-14-7-3-12(4-8-14)5-9-15(19)18-13-6-10-16(21-2)17-11-13/h3-11H,1-2H3,(H,18,19)/b9-5+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-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-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 2547662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).