N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide

C18H21F3N2O — CID 156741272

IUPACN-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc(C)c(/C=C/C2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C18H21F3N2O/c1-3-17(24)23-16-10-14(12(2)22-11-16)7-4-13-5-8-15(9-6-13)18(19,20)21/h3-4,7,10-11,13,15H,1,5-6,8-9H2,2H3,(H,23,24)/b7-4+
InChIKeyBSJSXLSFUQZKCW-QPJJXVBHSA-N
MW338.37 g/mol
LogP4.90
Rot. Bonds4

About N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide

N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide (PubChem CID 156741272) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
PubChem CID156741272
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC NameN-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc(C)c(/C=C/C2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C18H21F3N2O/c1-3-17(24)23-16-10-14(12(2)22-11-16)7-4-13-5-8-15(9-6-13)18(19,20)21/h3-4,7,10-11,13,15H,1,5-6,8-9H2,2H3,(H,23,24)/b7-4+
InChIKeyBSJSXLSFUQZKCW-QPJJXVBHSA-N
XLogP4.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
CID 176938808
N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741178
N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741275
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-(2-cyclohexylethenyl)-1-methylindol-5-yl]prop-2-enamide
CID 170318336
N-[3-[2-(4,4-difluorocyclohexyl)ethenyl]-1-methylindol-6-yl]prop-2-enamide
CID 170318329
N-[3-(cyclohexylmethyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide
CID 169260625
N-[3-[2-(4,4-difluorocyclohexyl)ethenyl]-1-ethylindol-5-yl]prop-2-enamide
CID 170318362
N-cyclopropyl-3-(prop-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 167874796
N-(5-fluoro-2,4-dimethyl-3-pyridinyl)prop-2-enamide
CID 169172963
N-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridin-5-yl]prop-2-enamide
CID 169173121

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide (CID 156741272) is N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cnc(C)c(/C=C/C2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is BSJSXLSFUQZKCW-QPJJXVBHSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-3-17(24)23-16-10-14(12(2)22-11-16)7-4-13-5-8-15(9-6-13)18(19,20)21/h3-4,7,10-11,13,15H,1,5-6,8-9H2,2H3,(H,23,24)/b7-4+.
What are the key properties of N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide?
N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 338.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 156741272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).