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

C23H21NO3 — CID 6618070

IUPACethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(C)cc1
InChIInChI=1S/C23H21NO3/c1-4-27-23(26)18-14(3)24-21-16-7-5-6-8-17(16)22(25)20(21)19(18)15-11-9-13(2)10-12-15/h5-12,19,24H,4H2,1-3H3
InChIKeyUUSVEGLSWRDKOD-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.13
Rot. Bonds3

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

ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (PubChem CID 6618070) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
PubChem CID6618070
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Nameethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(C)cc1
InChIInChI=1S/C23H21NO3/c1-4-27-23(26)18-14(3)24-21-16-7-5-6-8-17(16)22(25)20(21)19(18)15-11-9-13(2)10-12-15/h5-12,19,24H,4H2,1-3H3
InChIKeyUUSVEGLSWRDKOD-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.13
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-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate (CID 6618070) is ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(C)cc1.
What is the InChIKey of ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
The InChIKey is UUSVEGLSWRDKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-4-27-23(26)18-14(3)24-21-16-7-5-6-8-17(16)22(25)20(21)19(18)15-11-9-13(2)10-12-15/h5-12,19,24H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate?
ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 6618070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).