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

C21H24N2O5 — CID 91814878

IUPAC1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCOc1cccc(OCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1
InChIInChI=1S/C21H24N2O5/c1-14-8-18(10-20(24)23(14)15-6-7-15)28-19-11-22(12-19)21(25)13-27-17-5-3-4-16(9-17)26-2/h3-5,8-10,15,19H,6-7,11-13H2,1-2H3
InChIKeyLHRIFLYDCFWHBJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.17
Rot. Bonds7

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

1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 91814878) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID91814878
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCOc1cccc(OCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1
InChIInChI=1S/C21H24N2O5/c1-14-8-18(10-20(24)23(14)15-6-7-15)28-19-11-22(12-19)21(25)13-27-17-5-3-4-16(9-17)26-2/h3-5,8-10,15,19H,6-7,11-13H2,1-2H3
InChIKeyLHRIFLYDCFWHBJ-UHFFFAOYSA-N
XLogP2.17
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]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
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 121156070
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 121156082
1-cyclopropyl-4-[1-[3-(4-fluoro-3-methylphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155937
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 122257818
4-[1-(1-acetylpiperidine-4-carbonyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155982
1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121156099
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one (CID 91814878) is 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one is COc1cccc(OCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1.
What is the InChIKey of 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is LHRIFLYDCFWHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-8-18(10-20(24)23(14)15-6-7-15)28-19-11-22(12-19)21(25)13-27-17-5-3-4-16(9-17)26-2/h3-5,8-10,15,19H,6-7,11-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 384.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-[2-(3-methoxyphenoxy)acetyl]azetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 91814878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).