1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone

C18H14FN3O3 — CID 58318702

IUPAC1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
InChIInChI=1S/C18H14FN3O3/c1-24-18-4-2-3-14(22-18)8-17(23)12-5-13(19)7-15(6-12)25-16-9-20-11-21-10-16/h2-7,9-11H,8H2,1H3
InChIKeyFNOYJKWFBXKYKN-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.24
Rot. Bonds6

About 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone

1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone (PubChem CID 58318702) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone
PubChem CID58318702
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone
SMILESCOc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1
InChIInChI=1S/C18H14FN3O3/c1-24-18-4-2-3-14(22-18)8-17(23)12-5-13(19)7-15(6-12)25-16-9-20-11-21-10-16/h2-7,9-11H,8H2,1H3
InChIKeyFNOYJKWFBXKYKN-UHFFFAOYSA-N
XLogP3.24
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
CID 51033560
3-fluoro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936731
3-fluoro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936736
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803
3-fluoro-N-(6-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936858
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
3-fluoro-N-pyridin-2-yl-5-pyrimidin-5-yloxybenzamide
CID 69936868
N-(4-chloro-2-pyridinyl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936872
3-chloro-N-(5-fluoro-6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936909
N-(5-fluoro-2-pyridinyl)-3-methyl-5-pyrimidin-5-yloxybenzamide
CID 69936926
3-fluoro-N-(4-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69937111
3-cyano-N-(5-fluoropyridin-2-yl)-5-(pyrimidin-5-yloxy)benzamide
CID 69937644

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone (CID 58318702) is 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone is COc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.
What is the InChIKey of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone?
The InChIKey is FNOYJKWFBXKYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-24-18-4-2-3-14(22-18)8-17(23)12-5-13(19)7-15(6-12)25-16-9-20-11-21-10-16/h2-7,9-11H,8H2,1H3.
What are the key properties of 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone?
1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone has a molecular weight of 339.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58318702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).