2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine

C23H24N2O — CID 143444608

IUPAC2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine
SMILESCOc1ccc(/C(C)=C(\C)c2ccnc(-c3cc(C)c(C)cn3)c2)cc1
InChIInChI=1S/C23H24N2O/c1-15-12-22(25-14-16(15)2)23-13-20(10-11-24-23)18(4)17(3)19-6-8-21(26-5)9-7-19/h6-14H,1-5H3/b18-17+
InChIKeyKIRXVGVMOZOUSH-ISLYRVAYSA-N
MW344.46 g/mol
LogP5.72
Rot. Bonds4

About 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine

2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine (PubChem CID 143444608) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine.

Molecular Properties

Compound Name2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine
PubChem CID143444608
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine
SMILESCOc1ccc(/C(C)=C(\C)c2ccnc(-c3cc(C)c(C)cn3)c2)cc1
InChIInChI=1S/C23H24N2O/c1-15-12-22(25-14-16(15)2)23-13-20(10-11-24-23)18(4)17(3)19-6-8-21(26-5)9-7-19/h6-14H,1-5H3/b18-17+
InChIKeyKIRXVGVMOZOUSH-ISLYRVAYSA-N
XLogP5.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
2-(4-methoxy-2,5-dimethylphenyl)pyridine-4-carboxylic acid
CID 82299850
2-[(4-methoxyphenyl)methyl]-4,5-dimethylpyridine
CID 11172203
2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine
CID 143444623
ethyl 6-(4-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
CID 122554521
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
CID 166511370
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
2-(5-chloro-4-methoxy-2-methylphenyl)pyridine-4-carboxylic acid
CID 95481855
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine?
The IUPAC name of 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine (CID 143444608) is 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine.
What is the SMILES notation for 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine?
The canonical SMILES for 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine is COc1ccc(/C(C)=C(\C)c2ccnc(-c3cc(C)c(C)cn3)c2)cc1.
What is the InChIKey of 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine?
The InChIKey is KIRXVGVMOZOUSH-ISLYRVAYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-15-12-22(25-14-16(15)2)23-13-20(10-11-24-23)18(4)17(3)19-6-8-21(26-5)9-7-19/h6-14H,1-5H3/b18-17+.
What are the key properties of 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine?
2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine has a molecular weight of 344.46 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine is sourced from PubChem (CID 143444608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).