ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate

C17H17N3O4 — CID 108501782

IUPACethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C17H17N3O4/c1-2-24-17(23)13-8-3-4-9-14(13)20-16(22)15(21)19-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyZCWPPNAHCZWFNA-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.51
Rot. Bonds5

About ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate

ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate (PubChem CID 108501782) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
PubChem CID108501782
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1
InChIInChI=1S/C17H17N3O4/c1-2-24-17(23)13-8-3-4-9-14(13)20-16(22)15(21)19-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyZCWPPNAHCZWFNA-UHFFFAOYSA-N
XLogP1.51
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-carbamoylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518371
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethyl 2-[[6-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109191014
N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
N'-(2-amino-4-methylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108518419
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
ethyl 2-[[2-[2-(2-hydroxyethoxy)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108501826
ethyl 3-amino-2-(pyridin-2-ylmethylamino)benzoate
CID 115934021
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
ethyl 2-[[2-oxo-2-(2-propan-2-ylanilino)acetyl]amino]benzoate
CID 108500401
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate (CID 108501782) is ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C(=O)NCc1ccccn1.
What is the InChIKey of ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate?
The InChIKey is ZCWPPNAHCZWFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-24-17(23)13-8-3-4-9-14(13)20-16(22)15(21)19-11-12-7-5-6-10-18-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate?
ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate has a molecular weight of 327.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]amino]benzoate is sourced from PubChem (CID 108501782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).