(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone

C11H14N2O — CID 116547444

IUPAC(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
SMILESCc1cncc(C(=O)C2CCCN2)c1
InChIInChI=1S/C11H14N2O/c1-8-5-9(7-12-6-8)11(14)10-3-2-4-13-10/h5-7,10,13H,2-4H2,1H3
InChIKeyQFXOBNGQKBKCCC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.32
Rot. Bonds2

About (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone

(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone (PubChem CID 116547444) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
PubChem CID116547444
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
SMILESCc1cncc(C(=O)C2CCCN2)c1
InChIInChI=1S/C11H14N2O/c1-8-5-9(7-12-6-8)11(14)10-3-2-4-13-10/h5-7,10,13H,2-4H2,1H3
InChIKeyQFXOBNGQKBKCCC-UHFFFAOYSA-N
XLogP1.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
1-(5-methyl-3-pyridinyl)-2-pyrrolidin-2-ylethanone
CID 116560896
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
(6-methylnaphthalen-2-yl)-pyrrolidin-2-ylmethanone
CID 116916835
piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
CID 116547773
(3,4-dimethylphenyl)-[(2R)-pyrrolidin-2-yl]methanone
CID 42076609
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
N-(5-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 103814497
(5-methylthiophen-3-yl)-piperidin-2-ylmethanone
CID 116547920
(5-methyl-3-pyridinyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119999315
N-cyclopropyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626967
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone?
The IUPAC name of (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone (CID 116547444) is (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone.
What is the SMILES notation for (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone?
The canonical SMILES for (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone is Cc1cncc(C(=O)C2CCCN2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone?
The InChIKey is QFXOBNGQKBKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-5-9(7-12-6-8)11(14)10-3-2-4-13-10/h5-7,10,13H,2-4H2,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone?
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone has a molecular weight of 190.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 116547444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).