ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

C24H24N2O4 — CID 14210911

IUPACethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1NCc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-3-29-23(27)20-15(2)26-19-14-30-24(28)22(19)21(20)17-11-7-8-12-18(17)25-13-16-9-5-4-6-10-16/h4-12,21,25-26H,3,13-14H2,1-2H3
InChIKeyRTCZROHKPOSJLA-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.63
Rot. Bonds6

About ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate (PubChem CID 14210911) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
PubChem CID14210911
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1NCc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-3-29-23(27)20-15(2)26-19-14-30-24(28)22(19)21(20)17-11-7-8-12-18(17)25-13-16-9-5-4-6-10-16/h4-12,21,25-26H,3,13-14H2,1-2H3
InChIKeyRTCZROHKPOSJLA-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate (CID 14210911) is ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate is CCOC(=O)C1=C(C)NC2=C(C(=O)OC2)C1c1ccccc1NCc1ccccc1.
What is the InChIKey of ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
The InChIKey is RTCZROHKPOSJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-29-23(27)20-15(2)26-19-14-30-24(28)22(19)21(20)17-11-7-8-12-18(17)25-13-16-9-5-4-6-10-16/h4-12,21,25-26H,3,13-14H2,1-2H3.
What are the key properties of ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate?
ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(benzylamino)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 14210911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).