1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone

C26H25NO2 — CID 145464930

IUPAC1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(OC)cc3)cc2)c(C)c1C(C)=O
InChIInChI=1S/C26H25NO2/c1-6-8-24-23(7-2)25(18(4)28)17(3)26(27-24)21-11-9-19(10-12-21)20-13-15-22(29-5)16-14-20/h6-16H,2H2,1,3-5H3/b8-6-
InChIKeySCDYVJYAPYZEEF-VURMDHGXSA-N
MW383.49 g/mol
LogP6.61
Rot. Bonds6

About 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone

1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone (PubChem CID 145464930) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
PubChem CID145464930
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
SMILESC=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(OC)cc3)cc2)c(C)c1C(C)=O
InChIInChI=1S/C26H25NO2/c1-6-8-24-23(7-2)25(18(4)28)17(3)26(27-24)21-11-9-19(10-12-21)20-13-15-22(29-5)16-14-20/h6-16H,2H2,1,3-5H3/b8-6-
InChIKeySCDYVJYAPYZEEF-VURMDHGXSA-N
XLogP6.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(4-chlorophenyl)phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464994
1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464889
1-[5-ethenyl-2-[4-[4-(2-fluoropropan-2-yl)phenyl]phenyl]-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone
CID 145464820
5-ethenyl-3-methoxy-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyridine
CID 145465049
1-[2-[4-[4-[(E)-but-2-en-2-yl]phenyl]phenyl]-5-ethenyl-3-methoxy-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;ethane;prop-1-en-2-ol
CID 145464888
1-[3-ethyl-5-methyl-2-[4-(4-methylphenyl)phenyl]-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-2-one
CID 145465535
ethane;1-[3-ethenyl-6-[4-(4-methylphenyl)phenyl]-2-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone;methanol;propan-1-ol
CID 145464947
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167
methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
CID 175431840
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone?
The IUPAC name of 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone (CID 145464930) is 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone?
The canonical SMILES for 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone is C=Cc1c(/C=C\C)nc(-c2ccc(-c3ccc(OC)cc3)cc2)c(C)c1C(C)=O.
What is the InChIKey of 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone?
The InChIKey is SCDYVJYAPYZEEF-VURMDHGXSA-N. The full InChI is InChI=1S/C26H25NO2/c1-6-8-24-23(7-2)25(18(4)28)17(3)26(27-24)21-11-9-19(10-12-21)20-13-15-22(29-5)16-14-20/h6-16H,2H2,1,3-5H3/b8-6-.
What are the key properties of 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone?
1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone has a molecular weight of 383.49 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethenyl-2-[4-(4-methoxyphenyl)phenyl]-3-methyl-6-[(Z)-prop-1-enyl]-4-pyridinyl]ethanone is sourced from PubChem (CID 145464930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).