N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform

C19H23F3N2O2 — CID 156741288

IUPACN-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform
SMILESCC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCCCC2)c1.FC(F)F
InChIInChI=1S/C18H22N2O2.CHF3/c1-3-7-17(21)20-16-12-15(18(22-2)19-13-16)11-10-14-8-5-4-6-9-14;2-1(3)4/h10-14H,4-6,8-9H2,1-2H3,(H,20,21);1H/b11-10+;
InChIKeyBDOXNEOFZSHGQA-ASTDGNLGSA-N
MW368.40 g/mol
LogP4.82
Rot. Bonds4

About N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform

N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform (PubChem CID 156741288) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform.

Molecular Properties

Compound NameN-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform
PubChem CID156741288
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC NameN-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform
SMILESCC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCCCC2)c1.FC(F)F
InChIInChI=1S/C18H22N2O2.CHF3/c1-3-7-17(21)20-16-12-15(18(22-2)19-13-16)11-10-14-8-5-4-6-9-14;2-1(3)4/h10-14H,4-6,8-9H2,1-2H3,(H,20,21);1H/b11-10+;
InChIKeyBDOXNEOFZSHGQA-ASTDGNLGSA-N
XLogP4.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform with MolForge

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Related Compounds

N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]prop-2-enamide
CID 176938808
2-[[[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]amino]methyl]prop-2-enoic acid
CID 156741307
N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741275
N-(5-formyl-6-methoxy-3-pyridinyl)acetamide
CID 169112551
N-[6-methyl-5-[(E)-2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741272
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
N-(2-methoxy-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 71983272
5-[(E)-2-(4,4-difluorocyclohexyl)ethenyl]-N-[[3-[2-hydroxy-2-(methylamino)ethyl]phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 156705426
2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide
CID 119897971
(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-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
N-[2-(hydroxymethyl)-6-methoxy-5-[2-[4-(trifluoromethyl)cyclohexyl]ethenyl]-3-pyridinyl]prop-2-enamide
CID 156741178

Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform?
The IUPAC name of N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform (CID 156741288) is N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform.
What is the SMILES notation for N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform?
The canonical SMILES for N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform is CC#CC(=O)Nc1cnc(OC)c(/C=C/C2CCCCC2)c1.FC(F)F.
What is the InChIKey of N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform?
The InChIKey is BDOXNEOFZSHGQA-ASTDGNLGSA-N. The full InChI is InChI=1S/C18H22N2O2.CHF3/c1-3-7-17(21)20-16-12-15(18(22-2)19-13-16)11-10-14-8-5-4-6-9-14;2-1(3)4/h10-14H,4-6,8-9H2,1-2H3,(H,20,21);1H/b11-10+;.
What are the key properties of N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform?
N-[5-[(E)-2-cyclohexylethenyl]-6-methoxy-3-pyridinyl]but-2-ynamide;fluoroform has a molecular weight of 368.40 g/mol, XLogP of 4.82, 4 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]but-2-ynamide;fluoroform is sourced from PubChem (CID 156741288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).