1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one

C22H25FN2O3 — CID 121155937

IUPAC1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(CCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)ccc1F
InChIInChI=1S/C22H25FN2O3/c1-14-9-16(3-7-20(14)23)4-8-21(26)24-12-19(13-24)28-18-10-15(2)25(17-5-6-17)22(27)11-18/h3,7,9-11,17,19H,4-6,8,12-13H2,1-2H3
InChIKeyKONOIMGEUKISGH-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.16
Rot. Bonds6

About 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one

1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 121155937) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID121155937
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(CCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)ccc1F
InChIInChI=1S/C22H25FN2O3/c1-14-9-16(3-7-20(14)23)4-8-21(26)24-12-19(13-24)28-18-10-15(2)25(17-5-6-17)22(27)11-18/h3,7,9-11,17,19H,4-6,8,12-13H2,1-2H3
InChIKeyKONOIMGEUKISGH-UHFFFAOYSA-N
XLogP3.16
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one with MolForge

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Related Compounds

4-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155854
4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155818
4-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155867
1-cyclopropyl-6-methyl-4-[1-(2-pyridin-3-ylacetyl)azetidin-3-yl]oxypyridin-2-one
CID 91814917
1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814878
4-[1-[2-(4-chlorophenoxy)-2-methylpropanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155868
1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156027
3-(4-fluoro-3-methylphenyl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121164901
3-(4-fluoro-3-methylphenyl)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121150887
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121156068
1,6-dimethyl-4-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]oxypyridin-2-one
CID 86265620
methyl 2-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]pyrrolidin-3-yl]sulfanylacetate
CID 86264274

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one (CID 121155937) is 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1cc(CCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)ccc1F.
What is the InChIKey of 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is KONOIMGEUKISGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-14-9-16(3-7-20(14)23)4-8-21(26)24-12-19(13-24)28-18-10-15(2)25(17-5-6-17)22(27)11-18/h3,7,9-11,17,19H,4-6,8,12-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 384.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 121155937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).