ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

C22H19NO3 — CID 2817297

IUPACethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C22H19NO3/c1-3-26-22(25)17-13(2)23-20-15-11-7-8-12-16(15)21(24)19(20)18(17)14-9-5-4-6-10-14/h4-12,18,23H,3H2,1-2H3
InChIKeyCDNOFXHQJUJZNU-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.82
Rot. Bonds3

About ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate

ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 2817297) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
PubChem CID2817297
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Nameethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C22H19NO3/c1-3-26-22(25)17-13(2)23-20-15-11-7-8-12-16(15)21(24)19(20)18(17)14-9-5-4-6-10-14/h4-12,18,23H,3H2,1-2H3
InChIKeyCDNOFXHQJUJZNU-UHFFFAOYSA-N
XLogP3.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (CID 2817297) is ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccccc1.
What is the InChIKey of ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is CDNOFXHQJUJZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-3-26-22(25)17-13(2)23-20-15-11-7-8-12-16(15)21(24)19(20)18(17)14-9-5-4-6-10-14/h4-12,18,23H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 2817297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).