ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate

C22H20N2O4 — CID 141456436

IUPACethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1[nH]cc(-c2ccccc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C22H20N2O4/c1-2-28-18(25)14-24-22(27)20-19(16-11-7-4-8-12-16)21(26)17(13-23-20)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyXTARCRDYMRHERY-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.00
Rot. Bonds6

About ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate

ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate (PubChem CID 141456436) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate
PubChem CID141456436
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Nameethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1[nH]cc(-c2ccccc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C22H20N2O4/c1-2-28-18(25)14-24-22(27)20-19(16-11-7-4-8-12-16)21(26)17(13-23-20)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyXTARCRDYMRHERY-UHFFFAOYSA-N
XLogP3.00
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402
ethyl 3-phenyl-4-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CID 11346607
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
ethyl 2-[[2-(ethylamino)benzoyl]amino]acetate
CID 55177471
ethyl 2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetate
CID 60817245
ethyl 2-(1-phenylethenylamino)acetate
CID 142204564
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CID 2763622
ethyl propanoate;2-[(4-phenylbenzoyl)amino]acetic acid
CID 143394399
ethyl 2-[[2-(2-methylphenyl)acetyl]amino]acetate
CID 26163301

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate (CID 141456436) is ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1[nH]cc(-c2ccccc2)c(=O)c1-c1ccccc1.
What is the InChIKey of ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate?
The InChIKey is XTARCRDYMRHERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-2-28-18(25)14-24-22(27)20-19(16-11-7-4-8-12-16)21(26)17(13-23-20)15-9-5-3-6-10-15/h3-13H,2,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate?
ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate has a molecular weight of 376.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-oxo-3,5-diphenyl-1H-pyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 141456436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).