ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate

C24H24N2O4 — CID 7598620

IUPACethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C24H24N2O4/c1-4-30-24(29)18-9-11-20(12-10-18)25-22(27)21-6-5-13-26(23(21)28)15-19-14-16(2)7-8-17(19)3/h5-14H,4,15H2,1-3H3,(H,25,27)
InChIKeyDNROTYJUCOKJDA-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.94
Rot. Bonds6

About ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate

ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 7598620) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID7598620
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nameethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1
InChIInChI=1S/C24H24N2O4/c1-4-30-24(29)18-9-11-20(12-10-18)25-22(27)21-6-5-13-26(23(21)28)15-19-14-16(2)7-8-17(19)3/h5-14H,4,15H2,1-3H3,(H,25,27)
InChIKeyDNROTYJUCOKJDA-UHFFFAOYSA-N
XLogP3.94
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598720
1-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598610
1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7598626
N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 8670906
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
1-[(2,5-dimethylphenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598660
1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7597899
N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598690
butyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597581
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 7598620) is ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cc(C)ccc3C)c2=O)cc1.
What is the InChIKey of ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is DNROTYJUCOKJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-4-30-24(29)18-9-11-20(12-10-18)25-22(27)21-6-5-13-26(23(21)28)15-19-14-16(2)7-8-17(19)3/h5-14H,4,15H2,1-3H3,(H,25,27).
What are the key properties of ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 404.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 7598620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).