(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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Related Compounds

[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177347694
ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177348708
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-ylpyridine
CID 156652374
ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone
CID 177346828
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
methyl 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905294
[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58211189
[6-[[3-[6-[[(1E,3Z)-1,4-diamino-1,4-dicyclopropylbuta-1,3-dien-2-yl]amino]-4-ethyl-5-methyl-4H-pyrazolo[5,4-c]quinolin-3-yl]azetidin-1-yl]methyl]-2-pyridinyl]-(3-methoxyazetidin-1-yl)methanone;formamide
CID 177347589

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).