3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide

C16H23N3O4 — CID 121156082

IUPAC3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide
SMILESCOCCNC(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C16H23N3O4/c1-11-7-13(8-15(20)19(11)12-3-4-12)23-14-9-18(10-14)16(21)17-5-6-22-2/h7-8,12,14H,3-6,9-10H2,1-2H3,(H,17,21)
InChIKeyBCKPKLXYKAVZBX-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.91
Rot. Bonds6

About 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide

3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide (PubChem CID 121156082) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide
PubChem CID121156082
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide
SMILESCOCCNC(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1
InChIInChI=1S/C16H23N3O4/c1-11-7-13(8-15(20)19(11)12-3-4-12)23-14-9-18(10-14)16(21)17-5-6-22-2/h7-8,12,14H,3-6,9-10H2,1-2H3,(H,17,21)
InChIKeyBCKPKLXYKAVZBX-UHFFFAOYSA-N
XLogP0.91
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-naphthalen-2-yloxyazetidine-1-carboxamide
CID 23558811
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 121156070
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121156099
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-[4-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 121156068
4-[1-(1-acetylpiperidine-4-carbonyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155982
4-[1-(3-cyclohexylpropanoyl)azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155818
1-cyclopropyl-6-methyl-4-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridin-2-one
CID 91814866
4-[1-[2-(4-chlorophenoxy)acetyl]azetidin-3-yl]oxy-1-cyclopropyl-6-methylpyridin-2-one
CID 121155854
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide (CID 121156082) is 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide is COCCNC(=O)N1CC(Oc2cc(C)n(C3CC3)c(=O)c2)C1.
What is the InChIKey of 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide?
The InChIKey is BCKPKLXYKAVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-11-7-13(8-15(20)19(11)12-3-4-12)23-14-9-18(10-14)16(21)17-5-6-22-2/h7-8,12,14H,3-6,9-10H2,1-2H3,(H,17,21).
What are the key properties of 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide?
3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]-N-(2-methoxyethyl)azetidine-1-carboxamide is sourced from PubChem (CID 121156082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).