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

C18H21N3O2 — CID 122249689

IUPAC3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)NCCc3ccccc3)C2)n1
InChIInChI=1S/C18H21N3O2/c1-14-6-5-9-17(20-14)23-16-12-21(13-16)18(22)19-11-10-15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3,(H,19,22)
InChIKeyUPFVGMGYJLCAGS-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.41
Rot. Bonds5

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

3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide (PubChem CID 122249689) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
PubChem CID122249689
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)NCCc3ccccc3)C2)n1
InChIInChI=1S/C18H21N3O2/c1-14-6-5-9-17(20-14)23-16-12-21(13-16)18(22)19-11-10-15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3,(H,19,22)
InChIKeyUPFVGMGYJLCAGS-UHFFFAOYSA-N
XLogP2.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide (CID 122249689) is 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide is Cc1cccc(OC2CN(C(=O)NCCc3ccccc3)C2)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide?
The InChIKey is UPFVGMGYJLCAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-6-5-9-17(20-14)23-16-12-21(13-16)18(22)19-11-10-15-7-3-2-4-8-15/h2-9,16H,10-13H2,1H3,(H,19,22).
What are the key properties of 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide?
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide is sourced from PubChem (CID 122249689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).