ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate

C21H18N2O4 — CID 110651274

IUPACethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C21H18N2O4/c1-2-27-21(26)16-10-6-7-11-17(16)23-20(25)18-15(12-13-22-19(18)24)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyTVMVMQBIVJJORS-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.47
Rot. Bonds5

About ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate

ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate (PubChem CID 110651274) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
PubChem CID110651274
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Nameethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)cc[nH]c1=O
InChIInChI=1S/C21H18N2O4/c1-2-27-21(26)16-10-6-7-11-17(16)23-20(25)18-15(12-13-22-19(18)24)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,22,24)(H,23,25)
InChIKeyTVMVMQBIVJJORS-UHFFFAOYSA-N
XLogP3.47
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 4-phenyl-2-sulfanylidene-1H-pyridine-3-carboxylate
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ethyl 3-phenyl-1H-pyrrole-2-carboxylate
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ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
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ethyl 2-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]benzoate
CID 110600656
2-oxo-N-pentyl-4-phenyl-1H-pyridine-3-carboxamide
CID 110649311
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
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ethyl 2-(propanoylamino)benzoate
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CID 16604959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate (CID 110651274) is ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)cc[nH]c1=O.
What is the InChIKey of ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate?
The InChIKey is TVMVMQBIVJJORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-2-27-21(26)16-10-6-7-11-17(16)23-20(25)18-15(12-13-22-19(18)24)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,22,24)(H,23,25).
What are the key properties of ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate?
ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate has a molecular weight of 362.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxo-4-phenyl-1H-pyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110651274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).