[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C15H21N3O — CID 177347694

IUPAC[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C15H21N3O/c1-12-9-17(10-12)11-13-5-4-6-14(16-13)15(19)18-7-2-3-8-18/h4-6,12H,2-3,7-11H2,1H3
InChIKeySYMKTBKSFCYTCV-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.77
Rot. Bonds3

About [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 177347694) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID177347694
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C15H21N3O/c1-12-9-17(10-12)11-13-5-4-6-14(16-13)15(19)18-7-2-3-8-18/h4-6,12H,2-3,7-11H2,1H3
InChIKeySYMKTBKSFCYTCV-UHFFFAOYSA-N
XLogP1.77
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[6-[(3-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177348708
(3-methoxyazetidin-1-yl)-[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]methanone
CID 177347554
[6-(aminomethyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 82506917
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
[6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177348587
ethane;(3-hydroxypyrrolidin-1-yl)-[6-[(3-propylazetidin-1-yl)methyl]-2-pyridinyl]methanone
CID 177346828
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
(2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone
CID 177347984
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211130

Frequently Asked Questions

What is the IUPAC name of [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 177347694) is [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is CC1CN(Cc2cccc(C(=O)N3CCCC3)n2)C1.
What is the InChIKey of [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is SYMKTBKSFCYTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-9-17(10-12)11-13-5-4-6-14(16-13)15(19)18-7-2-3-8-18/h4-6,12H,2-3,7-11H2,1H3.
What are the key properties of [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 259.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 177347694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).