N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide

C17H22N2O2 — CID 176938808

IUPACN-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc(OC)c(/C=C/C2CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-3-16(20)19-15-11-14(17(21-2)18-12-15)10-9-13-7-5-4-6-8-13/h3,9-13H,1,4-8H2,2H3,(H,19,20)/b10-9+
InChIKeyLPFDXXYRIOQRBX-MDZDMXLPSA-N
MW286.38 g/mol
LogP3.81
Rot. Bonds5

About N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide

N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide (PubChem CID 176938808) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
PubChem CID176938808
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc(OC)c(/C=C/C2CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-3-16(20)19-15-11-14(17(21-2)18-12-15)10-9-13-7-5-4-6-8-13/h3,9-13H,1,4-8H2,2H3,(H,19,20)/b10-9+
InChIKeyLPFDXXYRIOQRBX-MDZDMXLPSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide (CID 176938808) is N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cnc(OC)c(/C=C/C2CCCCC2)c1.
What is the InChIKey of N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
The InChIKey is LPFDXXYRIOQRBX-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-16(20)19-15-11-14(17(21-2)18-12-15)10-9-13-7-5-4-6-8-13/h3,9-13H,1,4-8H2,2H3,(H,19,20)/b10-9+.
What are the key properties of N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide?
N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide has a molecular weight of 286.38 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 176938808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).