2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C18H15FN4O2 — CID 58349284

IUPAC2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCCc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
InChIInChI=1S/C18H15FN4O2/c1-2-16-15(19)4-3-12(23-16)7-18(24)17-8-13(5-6-22-17)25-14-9-20-11-21-10-14/h3-6,8-11H,2,7H2,1H3
InChIKeyKJLKUAOFUOTDBL-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.19
Rot. Bonds6

About 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 58349284) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID58349284
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCCc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
InChIInChI=1S/C18H15FN4O2/c1-2-16-15(19)4-3-12(23-16)7-18(24)17-8-13(5-6-22-17)25-14-9-20-11-21-10-14/h3-6,8-11H,2,7H2,1H3
InChIKeyKJLKUAOFUOTDBL-UHFFFAOYSA-N
XLogP3.19
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone with MolForge

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Related Compounds

Auglurant
CID 60168069
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197714
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823
N-(6-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197825
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
N-(6-ethyl-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60198043

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 58349284) is 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is CCc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.
What is the InChIKey of 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is KJLKUAOFUOTDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-2-16-15(19)4-3-12(23-16)7-18(24)17-8-13(5-6-22-17)25-14-9-20-11-21-10-14/h3-6,8-11H,2,7H2,1H3.
What are the key properties of 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 338.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).