2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen

C24H33FN2O — CID 145496467

IUPAC2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen
SMILESCC.CC.O=C(Cc1ccc(C2=CCCC=C2)cn1)NCc1cccc(F)c1.[H][H]
InChIInChI=1S/C20H19FN2O.2C2H6.H2/c21-18-8-4-5-15(11-18)13-23-20(24)12-19-10-9-17(14-22-19)16-6-2-1-3-7-16;2*1-2;/h2,4-11,14H,1,3,12-13H2,(H,23,24);2*1-2H3;1H
InChIKeyLHERWUUDLLTSGH-UHFFFAOYSA-N
MW384.54 g/mol
LogP6.11
Rot. Bonds5

About 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen

2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen (PubChem CID 145496467) has the molecular formula C24H33FN2O and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen
PubChem CID145496467
Molecular FormulaC24H33FN2O
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen
SMILESCC.CC.O=C(Cc1ccc(C2=CCCC=C2)cn1)NCc1cccc(F)c1.[H][H]
InChIInChI=1S/C20H19FN2O.2C2H6.H2/c21-18-8-4-5-15(11-18)13-23-20(24)12-19-10-9-17(14-22-19)16-6-2-1-3-7-16;2*1-2;/h2,4-11,14H,1,3,12-13H2,(H,23,24);2*1-2H3;1H
InChIKeyLHERWUUDLLTSGH-UHFFFAOYSA-N
XLogP6.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 70934294
N-[(3-fluorophenyl)methyl]-2-[5-[4-[(2S)-2-methylmorpholin-4-yl]phenyl]-2-pyridinyl]acetamide;sulfane
CID 162073419
N-[(3-fluorophenyl)methyl]-2-[5-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 59000643
N-[(3-fluorophenyl)methyl]-2-[5-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 24944841
2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
CID 66718908
N-[(3-fluorophenyl)methyl]-2-[2-methyl-6-(4-morpholin-4-ylphenyl)cycloocta-1,5,7-trien-1-yl]acetamide
CID 123549551
N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide
CID 145496447
2-[5-(2-fluoro-4-morpholin-4-ylphenyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]acetamide
CID 58450470
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen?
The IUPAC name of 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen (CID 145496467) is 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen.
What is the SMILES notation for 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen?
The canonical SMILES for 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen is CC.CC.O=C(Cc1ccc(C2=CCCC=C2)cn1)NCc1cccc(F)c1.[H][H].
What is the InChIKey of 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen?
The InChIKey is LHERWUUDLLTSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O.2C2H6.H2/c21-18-8-4-5-15(11-18)13-23-20(24)12-19-10-9-17(14-22-19)16-6-2-1-3-7-16;2*1-2;/h2,4-11,14H,1,3,12-13H2,(H,23,24);2*1-2H3;1H.
What are the key properties of 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen?
2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen has a molecular weight of 384.54 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclohexa-1,5-dien-1-yl-2-pyridinyl)-N-[(3-fluorophenyl)methyl]acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 145496467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).