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

C17H23N3O — CID 177348587

IUPAC[6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC1CN(C2CC2c2cccc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C17H23N3O/c1-12-10-20(11-12)16-9-13(16)14-5-4-6-15(18-14)17(21)19-7-2-3-8-19/h4-6,12-13,16H,2-3,7-11H2,1H3
InChIKeyWECUMELFEHWACQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.13
Rot. Bonds3

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

[6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 177348587) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID177348587
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCC1CN(C2CC2c2cccc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C17H23N3O/c1-12-10-20(11-12)16-9-13(16)14-5-4-6-15(18-14)17(21)19-7-2-3-8-19/h4-6,12-13,16H,2-3,7-11H2,1H3
InChIKeyWECUMELFEHWACQ-UHFFFAOYSA-N
XLogP2.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 177348587) is [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is CC1CN(C2CC2c2cccc(C(=O)N3CCCC3)n2)C1.
What is the InChIKey of [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is WECUMELFEHWACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-10-20(11-12)16-9-13(16)14-5-4-6-15(18-14)17(21)19-7-2-3-8-19/h4-6,12-13,16H,2-3,7-11H2,1H3.
What are the key properties of [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3-methylazetidin-1-yl)cyclopropyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 177348587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).