ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate

C19H30N2O3 — CID 146183465

IUPACethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate
SMILESCCOC(=O)C(CC(C)C)n1cc(CCN2CC(C)C2)ccc1=O
InChIInChI=1S/C19H30N2O3/c1-5-24-19(23)17(10-14(2)3)21-13-16(6-7-18(21)22)8-9-20-11-15(4)12-20/h6-7,13-15,17H,5,8-12H2,1-4H3
InChIKeyBUGRTUNDZDKKHJ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.49
Rot. Bonds8

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

ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate (PubChem CID 146183465) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate
PubChem CID146183465
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nameethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate
SMILESCCOC(=O)C(CC(C)C)n1cc(CCN2CC(C)C2)ccc1=O
InChIInChI=1S/C19H30N2O3/c1-5-24-19(23)17(10-14(2)3)21-13-16(6-7-18(21)22)8-9-20-11-15(4)12-20/h6-7,13-15,17H,5,8-12H2,1-4H3
InChIKeyBUGRTUNDZDKKHJ-UHFFFAOYSA-N
XLogP2.49
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate?
The IUPAC name of ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate (CID 146183465) is ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate.
What is the SMILES notation for ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate?
The canonical SMILES for ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate is CCOC(=O)C(CC(C)C)n1cc(CCN2CC(C)C2)ccc1=O.
What is the InChIKey of ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate?
The InChIKey is BUGRTUNDZDKKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-24-19(23)17(10-14(2)3)21-13-16(6-7-18(21)22)8-9-20-11-15(4)12-20/h6-7,13-15,17H,5,8-12H2,1-4H3.
What are the key properties of ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate?
ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate has a molecular weight of 334.46 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[5-[2-(3-methylazetidin-1-yl)ethyl]-2-oxo-1-pyridinyl]pentanoate is sourced from PubChem (CID 146183465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).