(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone

C15H21N3O2 — CID 177347554

IUPAC(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone
SMILESCOC1CN(C(=O)c2cccc(CN3CC(C)C3)n2)C1
InChIInChI=1S/C15H21N3O2/c1-11-6-17(7-11)8-12-4-3-5-14(16-12)15(19)18-9-13(10-18)20-2/h3-5,11,13H,6-10H2,1-2H3
InChIKeyPHGDNOVASBOQOW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.00
Rot. Bonds4

About (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone

(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone (PubChem CID 177347554) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone
PubChem CID177347554
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone
SMILESCOC1CN(C(=O)c2cccc(CN3CC(C)C3)n2)C1
InChIInChI=1S/C15H21N3O2/c1-11-6-17(7-11)8-12-4-3-5-14(16-12)15(19)18-9-13(10-18)20-2/h3-5,11,13H,6-10H2,1-2H3
InChIKeyPHGDNOVASBOQOW-UHFFFAOYSA-N
XLogP1.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The IUPAC name of (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone (CID 177347554) is (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone.
What is the SMILES notation for (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The canonical SMILES for (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone is COC1CN(C(=O)c2cccc(CN3CC(C)C3)n2)C1.
What is the InChIKey of (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The InChIKey is PHGDNOVASBOQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-6-17(7-11)8-12-4-3-5-14(16-12)15(19)18-9-13(10-18)20-2/h3-5,11,13H,6-10H2,1-2H3.
What are the key properties of (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone has a molecular weight of 275.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone is sourced from PubChem (CID 177347554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).