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

C13H19N3O3 — CID 122249711

IUPACN-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
SMILESCOCCNC(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C13H19N3O3/c1-10-4-3-5-12(15-10)19-11-8-16(9-11)13(17)14-6-7-18-2/h3-5,11H,6-9H2,1-2H3,(H,14,17)
InChIKeyPUMBWYSHBWUWSO-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.81
Rot. Bonds5

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

N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide (PubChem CID 122249711) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
PubChem CID122249711
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide
SMILESCOCCNC(=O)N1CC(Oc2cccc(C)n2)C1
InChIInChI=1S/C13H19N3O3/c1-10-4-3-5-12(15-10)19-11-8-16(9-11)13(17)14-6-7-18-2/h3-5,11H,6-9H2,1-2H3,(H,14,17)
InChIKeyPUMBWYSHBWUWSO-UHFFFAOYSA-N
XLogP0.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide (CID 122249711) is N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide is COCCNC(=O)N1CC(Oc2cccc(C)n2)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide?
The InChIKey is PUMBWYSHBWUWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10-4-3-5-12(15-10)19-11-8-16(9-11)13(17)14-6-7-18-2/h3-5,11H,6-9H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide?
N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carboxamide is sourced from PubChem (CID 122249711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).