2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine

C21H20N2OS — CID 143444623

IUPAC2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine
SMILESCOc1ccnc(-c2cc(/C=C(\C)c3ccc(SC)cc3)ccn2)c1
InChIInChI=1S/C21H20N2OS/c1-15(17-4-6-19(25-3)7-5-17)12-16-8-10-22-20(13-16)21-14-18(24-2)9-11-23-21/h4-14H,1-3H3/b15-12+
InChIKeyPHHVRVDJFMYRGR-NTCAYCPXSA-N
MW348.47 g/mol
LogP5.43
Rot. Bonds5

About 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine

2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine (PubChem CID 143444623) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine.

Molecular Properties

Compound Name2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine
PubChem CID143444623
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine
SMILESCOc1ccnc(-c2cc(/C=C(\C)c3ccc(SC)cc3)ccn2)c1
InChIInChI=1S/C21H20N2OS/c1-15(17-4-6-19(25-3)7-5-17)12-16-8-10-22-20(13-16)21-14-18(24-2)9-11-23-21/h4-14H,1-3H3/b15-12+
InChIKeyPHHVRVDJFMYRGR-NTCAYCPXSA-N
XLogP5.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
2-[[2,6-bis(4-methoxy-2-pyridinyl)-4-pyridinyl]sulfanyl]ethanamine
CID 122205488
[2-[4-formyloxy-6-[4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]-2-pyridinyl]-2-pyridinyl]-4-pyridinyl] formate
CID 126726102
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
2-[4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]-2-pyridinyl]-4,5-dimethylpyridine
CID 143444608
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
CID 166511370
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;[4-[(E)-2-[2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]methanol;2-pyridin-2-ylpyridine;ruthenium
CID 166511335
4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
CID 136954896
N'-hydroxy-4-methoxy-6-(4-methoxy-2-pyridinyl)pyridine-2-carboximidamide
CID 135455563
4-methoxy-2-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]-1-methylsulfanylbenzene
CID 19370434

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine?
The IUPAC name of 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine (CID 143444623) is 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine.
What is the SMILES notation for 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine?
The canonical SMILES for 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine is COc1ccnc(-c2cc(/C=C(\C)c3ccc(SC)cc3)ccn2)c1.
What is the InChIKey of 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine?
The InChIKey is PHHVRVDJFMYRGR-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-15(17-4-6-19(25-3)7-5-17)12-16-8-10-22-20(13-16)21-14-18(24-2)9-11-23-21/h4-14H,1-3H3/b15-12+.
What are the key properties of 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine?
2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine has a molecular weight of 348.47 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-pyridinyl)-4-[(E)-2-(4-methylsulfanylphenyl)prop-1-enyl]pyridine is sourced from PubChem (CID 143444623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).