1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone

C12H16N2O — CID 116560896

IUPAC1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
SMILESCc1cncc(C(=O)CC2CCCN2)c1
InChIInChI=1S/C12H16N2O/c1-9-5-10(8-13-7-9)12(15)6-11-3-2-4-14-11/h5,7-8,11,14H,2-4,6H2,1H3
InChIKeyOGKZARSXLDKJMD-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.71
Rot. Bonds3

About 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone

1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone (PubChem CID 116560896) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
PubChem CID116560896
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
SMILESCc1cncc(C(=O)CC2CCCN2)c1
InChIInChI=1S/C12H16N2O/c1-9-5-10(8-13-7-9)12(15)6-11-3-2-4-14-11/h5,7-8,11,14H,2-4,6H2,1H3
InChIKeyOGKZARSXLDKJMD-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-propan-2-yloxy-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560870
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444
N-cyclopropyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626967
N-ethyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626172
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
1-(2-methyl-1,3-benzoxazol-5-yl)-2-pyrrolidin-2-ylethanone
CID 116917018
1-(5-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594369
1-(4-fluorophenyl)-2-[(2S)-pyrrolidin-2-yl]ethanone
CID 96581833
1-(4-hydroxyphenyl)-2-pyrrolidin-2-ylethanone
CID 71390578
5-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 107584778
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
1-(3-methyltriazol-4-yl)-2-pyrrolidin-2-ylethanone
CID 114691913

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone (CID 116560896) is 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone is Cc1cncc(C(=O)CC2CCCN2)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone?
The InChIKey is OGKZARSXLDKJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-5-10(8-13-7-9)12(15)6-11-3-2-4-14-11/h5,7-8,11,14H,2-4,6H2,1H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone?
1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone has a molecular weight of 204.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 116560896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).