ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate

C15H14N2O3 — CID 110461558

IUPACethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)14(18)17-13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyMFDATBQYGUOLLH-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.25
Rot. Bonds3

About ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate

ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate (PubChem CID 110461558) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
PubChem CID110461558
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate
SMILESCCOC(=O)C(=O)Nc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C15H14N2O3/c1-2-20-15(19)14(18)17-13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-10H,2H2,1H3,(H,17,18)
InChIKeyMFDATBQYGUOLLH-UHFFFAOYSA-N
XLogP2.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]acetate
CID 110289998
ethyl 2-(isoquinolin-7-ylamino)-2-oxoacetate
CID 58603917
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
ethyl 2-(4-imidazol-1-ylanilino)-2-oxoacetate
CID 19438777
methyl 4-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 2880570
ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate
CID 25284248
ethyl 2-[(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)amino]-2-oxoacetate
CID 123450655
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
ethyl 2-oxo-2-(4-propan-2-yloxyanilino)acetate
CID 28710232
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
ethyl 2-[3-[(2-ethoxy-2-oxoacetyl)amino]-4-methoxyanilino]-2-oxoacetate
CID 12897325

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate?
The IUPAC name of ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate (CID 110461558) is ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate is CCOC(=O)C(=O)Nc1ccc(-c2ccncc2)cc1.
What is the InChIKey of ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate?
The InChIKey is MFDATBQYGUOLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-20-15(19)14(18)17-13-5-3-11(4-6-13)12-7-9-16-10-8-12/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate?
ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate has a molecular weight of 270.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(4-pyridin-4-ylanilino)acetate is sourced from PubChem (CID 110461558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).