ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate

C22H27NO3 — CID 10784275

IUPACethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1OCC)C(CC)(CC)c1ccccc1-2
InChIInChI=1S/C22H27NO3/c1-6-22(7-2)16-13-11-10-12-15(16)19-18(22)20(25-8-3)17(14(5)23-19)21(24)26-9-4/h10-13H,6-9H2,1-5H3
InChIKeyHQDFYXRRPIUBMZ-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.05
Rot. Bonds6

About ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate

ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 10784275) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate
PubChem CID10784275
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Nameethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(c1OCC)C(CC)(CC)c1ccccc1-2
InChIInChI=1S/C22H27NO3/c1-6-22(7-2)16-13-11-10-12-15(16)19-18(22)20(25-8-3)17(14(5)23-19)21(24)26-9-4/h10-13H,6-9H2,1-5H3
InChIKeyHQDFYXRRPIUBMZ-UHFFFAOYSA-N
XLogP5.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate (CID 10784275) is ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(c1OCC)C(CC)(CC)c1ccccc1-2.
What is the InChIKey of ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is HQDFYXRRPIUBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-6-22(7-2)16-13-11-10-12-15(16)19-18(22)20(25-8-3)17(14(5)23-19)21(24)26-9-4/h10-13H,6-9H2,1-5H3.
What are the key properties of ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate?
ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-5,5-diethyl-2-methylindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 10784275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).