1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone

C22H19FN2O2 — CID 147632417

IUPAC1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone
SMILESC/C=C(/c1ccc(O)cc1)c1ccc(CC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H19FN2O2/c1-3-19(15-5-8-18(26)9-6-15)16-4-7-17(25-11-16)10-22(27)20-12-24-13-21(23)14(20)2/h3-9,11-13,26H,10H2,1-2H3/b19-3-
InChIKeyGFYXKXREYMWOMT-OQOIWIOPSA-N
MW362.40 g/mol
LogP4.51
Rot. Bonds5

About 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone

1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone (PubChem CID 147632417) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone
PubChem CID147632417
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone
SMILESC/C=C(/c1ccc(O)cc1)c1ccc(CC(=O)c2cncc(F)c2C)nc1
InChIInChI=1S/C22H19FN2O2/c1-3-19(15-5-8-18(26)9-6-15)16-4-7-17(25-11-16)10-22(27)20-12-24-13-21(23)14(20)2/h3-9,11-13,26H,10H2,1-2H3/b19-3-
InChIKeyGFYXKXREYMWOMT-OQOIWIOPSA-N
XLogP4.51
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone (CID 147632417) is 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone is C/C=C(/c1ccc(O)cc1)c1ccc(CC(=O)c2cncc(F)c2C)nc1.
What is the InChIKey of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone?
The InChIKey is GFYXKXREYMWOMT-OQOIWIOPSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-3-19(15-5-8-18(26)9-6-15)16-4-7-17(25-11-16)10-22(27)20-12-24-13-21(23)14(20)2/h3-9,11-13,26H,10H2,1-2H3/b19-3-.
What are the key properties of 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone?
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone has a molecular weight of 362.40 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-hydroxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 147632417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).