3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide

C13H19N3O2 — CID 122249708

IUPAC3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)NC(C)C)C2)n1
InChIInChI=1S/C13H19N3O2/c1-9(2)14-13(17)16-7-11(8-16)18-12-6-4-5-10(3)15-12/h4-6,9,11H,7-8H2,1-3H3,(H,14,17)
InChIKeyFQADTKUKLUKBSN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds3

About 3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide

3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide (PubChem CID 122249708) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide
PubChem CID122249708
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide
SMILESCc1cccc(OC2CN(C(=O)NC(C)C)C2)n1
InChIInChI=1S/C13H19N3O2/c1-9(2)14-13(17)16-7-11(8-16)18-12-6-4-5-10(3)15-12/h4-6,9,11H,7-8H2,1-3H3,(H,14,17)
InChIKeyFQADTKUKLUKBSN-UHFFFAOYSA-N
XLogP1.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
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-propan-2-ylazetidine-1-carboxamide?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide (CID 122249708) is 3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide is Cc1cccc(OC2CN(C(=O)NC(C)C)C2)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide?
The InChIKey is FQADTKUKLUKBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(2)14-13(17)16-7-11(8-16)18-12-6-4-5-10(3)15-12/h4-6,9,11H,7-8H2,1-3H3,(H,14,17).
What are the key properties of 3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide?
3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.57, 3 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-propan-2-ylazetidine-1-carboxamide is sourced from PubChem (CID 122249708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).