(E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C18H20N2O5 — CID 2386829

IUPAC(E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C18H20N2O5/c1-22-14-9-12(10-15(23-2)18(14)25-4)5-7-16(21)20-13-6-8-17(24-3)19-11-13/h5-11H,1-4H3,(H,20,21)/b7-5+
InChIKeyQREDFSLDDCULOO-FNORWQNLSA-N
MW344.37 g/mol
LogP2.77
Rot. Bonds7

About (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 2386829) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID2386829
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C18H20N2O5/c1-22-14-9-12(10-15(23-2)18(14)25-4)5-7-16(21)20-13-6-8-17(24-3)19-11-13/h5-11H,1-4H3,(H,20,21)/b7-5+
InChIKeyQREDFSLDDCULOO-FNORWQNLSA-N
XLogP2.77
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 2386829) is (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is QREDFSLDDCULOO-FNORWQNLSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-22-14-9-12(10-15(23-2)18(14)25-4)5-7-16(21)20-13-6-8-17(24-3)19-11-13/h5-11H,1-4H3,(H,20,21)/b7-5+.
What are the key properties of (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 344.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-methoxy-3-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2386829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).