2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate

C17H25NO5 — CID 10687367

IUPAC2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate
SMILESCCc1c(OC(=O)C(C)C)c(=O)ccn1CCOC(=O)C(C)C
InChIInChI=1S/C17H25NO5/c1-6-13-15(23-17(21)12(4)5)14(19)7-8-18(13)9-10-22-16(20)11(2)3/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeySGZMWDVNBNHRSU-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.17
Rot. Bonds7

About 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate

2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate (PubChem CID 10687367) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate
PubChem CID10687367
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate
SMILESCCc1c(OC(=O)C(C)C)c(=O)ccn1CCOC(=O)C(C)C
InChIInChI=1S/C17H25NO5/c1-6-13-15(23-17(21)12(4)5)14(19)7-8-18(13)9-10-22-16(20)11(2)3/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeySGZMWDVNBNHRSU-UHFFFAOYSA-N
XLogP2.17
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate?
The IUPAC name of 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate (CID 10687367) is 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate is CCc1c(OC(=O)C(C)C)c(=O)ccn1CCOC(=O)C(C)C.
What is the InChIKey of 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate?
The InChIKey is SGZMWDVNBNHRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-6-13-15(23-17(21)12(4)5)14(19)7-8-18(13)9-10-22-16(20)11(2)3/h7-8,11-12H,6,9-10H2,1-5H3.
What are the key properties of 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate?
2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate has a molecular weight of 323.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-(2-methylpropanoyloxy)-4-oxo-1-pyridinyl]ethyl 2-methylpropanoate is sourced from PubChem (CID 10687367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).