ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate

C19H29FN2O3 — CID 139579744

IUPACethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)n1cc(CCN2CC(F)C2)c(C)cc1=O
InChIInChI=1S/C19H29FN2O3/c1-5-25-19(24)17(8-13(2)3)22-10-15(14(4)9-18(22)23)6-7-21-11-16(20)12-21/h9-10,13,16-17H,5-8,11-12H2,1-4H3
InChIKeyUDIXKWFNCMWQKK-UHFFFAOYSA-N
MW352.45 g/mol
LogP2.50
Rot. Bonds8

About ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate

ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate (PubChem CID 139579744) has the molecular formula C19H29FN2O3 and a molecular weight of 352.45 g/mol. Its IUPAC name is ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
PubChem CID139579744
Molecular FormulaC19H29FN2O3
Molecular Weight352.45 g/mol
Exact Mass352.22
IUPAC Nameethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)n1cc(CCN2CC(F)C2)c(C)cc1=O
InChIInChI=1S/C19H29FN2O3/c1-5-25-19(24)17(8-13(2)3)22-10-15(14(4)9-18(22)23)6-7-21-11-16(20)12-21/h9-10,13,16-17H,5-8,11-12H2,1-4H3
InChIKeyUDIXKWFNCMWQKK-UHFFFAOYSA-N
XLogP2.50
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate?
The IUPAC name of ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate (CID 139579744) is ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate.
What is the SMILES notation for ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate?
The canonical SMILES for ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate is CCOC(=O)C(CC(C)C)n1cc(CCN2CC(F)C2)c(C)cc1=O.
What is the InChIKey of ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate?
The InChIKey is UDIXKWFNCMWQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O3/c1-5-25-19(24)17(8-13(2)3)22-10-15(14(4)9-18(22)23)6-7-21-11-16(20)12-21/h9-10,13,16-17H,5-8,11-12H2,1-4H3.
What are the key properties of ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate?
ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate has a molecular weight of 352.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-2-oxo-1-pyridinyl]-4-methylpentanoate is sourced from PubChem (CID 139579744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).