cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone

C15H20N2O — CID 95817448

IUPACcyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCc1cccc([C@@H]2CCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C15H20N2O/c1-11-5-2-8-13(16-11)14-9-4-10-17(14)15(18)12-6-3-7-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyJGJIVIFHLPITIM-AWEZNQCLSA-N
MW244.34 g/mol
LogP2.85
Rot. Bonds2

About cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone

cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone (PubChem CID 95817448) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
PubChem CID95817448
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Namecyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
SMILESCc1cccc([C@@H]2CCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C15H20N2O/c1-11-5-2-8-13(16-11)14-9-4-10-17(14)15(18)12-6-3-7-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyJGJIVIFHLPITIM-AWEZNQCLSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838423
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
cyclopentyl-[(2S)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838436
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 99831648
cyclopentyl-[(2S)-2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92616788
3-(1-methylpyrazol-3-yl)-1-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 164632753
4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136869792
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone (CID 95817448) is cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone is Cc1cccc([C@@H]2CCCN2C(=O)C2CCC2)n1.
What is the InChIKey of cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone?
The InChIKey is JGJIVIFHLPITIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-2-8-13(16-11)14-9-4-10-17(14)15(18)12-6-3-7-12/h2,5,8,12,14H,3-4,6-7,9-10H2,1H3/t14-/m0/s1.
What are the key properties of cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone?
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone has a molecular weight of 244.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95817448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).