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

C21H24N2O4 — CID 121155831

IUPAC1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCCOc1ccccc1C(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C21H24N2O4/c1-3-26-19-7-5-4-6-18(19)21(25)22-12-17(13-22)27-16-10-14(2)23(15-8-9-15)20(24)11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3
InChIKeyXEMDSUMLIAPNSB-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.79
Rot. Bonds6

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

1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 121155831) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID121155831
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCCOc1ccccc1C(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C21H24N2O4/c1-3-26-19-7-5-4-6-18(19)21(25)22-12-17(13-22)27-16-10-14(2)23(15-8-9-15)20(24)11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3
InChIKeyXEMDSUMLIAPNSB-UHFFFAOYSA-N
XLogP2.79
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156132
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906
1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821
4-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155867
1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814878
4-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155854
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155971
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121156099
1-cyclopropyl-4-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156027
(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627456
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 121156070

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one (CID 121155831) is 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one is CCOc1ccccc1C(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1.
What is the InChIKey of 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is XEMDSUMLIAPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-26-19-7-5-4-6-18(19)21(25)22-12-17(13-22)27-16-10-14(2)23(15-8-9-15)20(24)11-16/h4-7,10-11,15,17H,3,8-9,12-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-(2-ethoxybenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 121155831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).