ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate

C14H21NO5 — CID 10401557

IUPACethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate
SMILESCCOC(=O)CCC1C=CN(C(=O)OCC)C=C1OC
InChIInChI=1S/C14H21NO5/c1-4-19-13(16)7-6-11-8-9-15(10-12(11)18-3)14(17)20-5-2/h8-11H,4-7H2,1-3H3
InChIKeyQIICIEUIOJSTBZ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.42
Rot. Bonds6

About ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate

ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate (PubChem CID 10401557) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate
PubChem CID10401557
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate
SMILESCCOC(=O)CCC1C=CN(C(=O)OCC)C=C1OC
InChIInChI=1S/C14H21NO5/c1-4-19-13(16)7-6-11-8-9-15(10-12(11)18-3)14(17)20-5-2/h8-11H,4-7H2,1-3H3
InChIKeyQIICIEUIOJSTBZ-UHFFFAOYSA-N
XLogP2.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-ethoxy-3-oxopropyl)-3-fluoro-4H-pyridine-1-carboxylate
CID 10265195

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate?
The IUPAC name of ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate (CID 10401557) is ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate is CCOC(=O)CCC1C=CN(C(=O)OCC)C=C1OC.
What is the InChIKey of ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate?
The InChIKey is QIICIEUIOJSTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-4-19-13(16)7-6-11-8-9-15(10-12(11)18-3)14(17)20-5-2/h8-11H,4-7H2,1-3H3.
What are the key properties of ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate?
ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethoxy-3-oxopropyl)-3-methoxy-4H-pyridine-1-carboxylate is sourced from PubChem (CID 10401557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).