(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone

C13H17FN2O — CID 83174368

IUPAC(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-3-10-8-7-9(2)16(10)13(17)11-5-4-6-12(14)15-11/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyYGQJOLKUFUAEAV-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.62
Rot. Bonds2

About (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone

(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone (PubChem CID 83174368) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
PubChem CID83174368
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
SMILESCCC1CCC(C)N1C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-3-10-8-7-9(2)16(10)13(17)11-5-4-6-12(14)15-11/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyYGQJOLKUFUAEAV-UHFFFAOYSA-N
XLogP2.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83137505
(2,6-dimethylpiperidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
CID 115496620
(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 106551631
(2-bromo-3-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83226850
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
[4-(diethylamino)piperidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115497426
(2-amino-3-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83217631
(2-bromo-5-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83136204
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83135395
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-fluoro-2-pyridinyl)methanone
CID 115498100
5-(2-ethyl-5-methylpyrrolidine-1-carbonyl)furan-2-carboxylic acid
CID 83220072

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone (CID 83174368) is (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone is CCC1CCC(C)N1C(=O)c1cccc(F)n1.
What is the InChIKey of (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The InChIKey is YGQJOLKUFUAEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-10-8-7-9(2)16(10)13(17)11-5-4-6-12(14)15-11/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
(2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone has a molecular weight of 236.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 83174368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).