ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate

C34H26N2O5 — CID 69308335

IUPACethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(Cc2ccccc2)c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c[nH]c1=O
InChIInChI=1S/C34H26N2O5/c1-2-40-34(39)33(38)36-30-27(19-21-9-4-3-5-10-21)28(20-35-32(30)37)23-17-15-22(16-18-23)24-12-8-13-26-25-11-6-7-14-29(25)41-31(24)26/h3-18,20H,2,19H2,1H3,(H,35,37)(H,36,38)
InChIKeySKTGPFQEAVUQLR-UHFFFAOYSA-N
MW542.59 g/mol
LogP6.70
Rot. Bonds6

About ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate

ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate (PubChem CID 69308335) has the molecular formula C34H26N2O5 and a molecular weight of 542.59 g/mol. Its IUPAC name is ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate
PubChem CID69308335
Molecular FormulaC34H26N2O5
Molecular Weight542.59 g/mol
Exact Mass542.18
IUPAC Nameethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1c(Cc2ccccc2)c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c[nH]c1=O
InChIInChI=1S/C34H26N2O5/c1-2-40-34(39)33(38)36-30-27(19-21-9-4-3-5-10-21)28(20-35-32(30)37)23-17-15-22(16-18-23)24-12-8-13-26-25-11-6-7-14-29(25)41-31(24)26/h3-18,20H,2,19H2,1H3,(H,35,37)(H,36,38)
InChIKeySKTGPFQEAVUQLR-UHFFFAOYSA-N
XLogP6.70
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.59
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate with MolForge

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Related Compounds

ethyl 2-[4-dibenzofuran-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]-2-oxoacetate
CID 67187128
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
4-(4-propylphenyl)dibenzofuran
CID 156827246
4-[4-(4-ethylnaphthalen-1-yl)phenyl]dibenzofuran
CID 129199601
(4-dibenzofuran-4-ylphenyl) 2-methylprop-2-enoate
CID 67087505
4-[3-(2-benzylphenyl)-4-methylphenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144661291
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
4-[4-[3-(4-dibenzofuran-4-ylphenyl)propyl]phenyl]dibenzofuran
CID 138462036
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
2-amino-3-[[4-(4-dibenzofuran-4-ylphenyl)phenyl]methylsulfanyl]propanoic acid
CID 11453801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate (CID 69308335) is ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1c(Cc2ccccc2)c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)c[nH]c1=O.
What is the InChIKey of ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate?
The InChIKey is SKTGPFQEAVUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O5/c1-2-40-34(39)33(38)36-30-27(19-21-9-4-3-5-10-21)28(20-35-32(30)37)23-17-15-22(16-18-23)24-12-8-13-26-25-11-6-7-14-29(25)41-31(24)26/h3-18,20H,2,19H2,1H3,(H,35,37)(H,36,38).
What are the key properties of ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate?
ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate has a molecular weight of 542.59 g/mol, XLogP of 6.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-benzyl-5-(4-dibenzofuran-4-ylphenyl)-2-oxo-1H-pyridin-3-yl]amino]-2-oxoacetate is sourced from PubChem (CID 69308335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).