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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Related Compounds

N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741275
N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform
CID 156741288
2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid
CID 156741307
N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741272
N-[3-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide
CID 170318336
N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741178
N-(5-formyl-6-methoxy-3-pyridinyl)acetamide
CID 169112551
5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-(prop-2-enoylamino)pyridine-2-carboxamide
CID 167614275
(E)-3-cyano-N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-6-methyl-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxypyridazin-3-yl]prop-2-enamide;N-[4-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-[4-(1,1-difluoroethyl)cyclohexyl]ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide;N-[4-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-5-methoxy-2-pyridinyl]prop-2-enamide;N-[5-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
CID 167679936
N-[3-(cyclohexylmethyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260625
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-[2-(methoxymethyl)pyrimidin-5-yl]prop-2-enamide
CID 166414548

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).