ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate

C16H17N3O3 — CID 156597569

IUPACethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H17N3O3/c1-2-22-16(21)12-6-8-13(9-7-12)18-11-15(20)19-14-5-3-4-10-17-14/h3-10,18H,2,11H2,1H3,(H,17,19,20)
InChIKeyDUXMJDBJCNTOPI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.31
Rot. Bonds6

About ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate

ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate (PubChem CID 156597569) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate
PubChem CID156597569
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Nameethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C16H17N3O3/c1-2-22-16(21)12-6-8-13(9-7-12)18-11-15(20)19-14-5-3-4-10-17-14/h3-10,18H,2,11H2,1H3,(H,17,19,20)
InChIKeyDUXMJDBJCNTOPI-UHFFFAOYSA-N
XLogP2.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
ethyl 4-[[2-[4-(dimethylamino)anilino]-2-oxoethyl]amino]benzoate
CID 109010353
ethyl 4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzoate
CID 109007993
ethyl 4-[[2-(butylamino)-2-oxoethyl]amino]benzoate
CID 86908699
ethyl 4-[[2-(3-acetamidoanilino)acetyl]amino]benzoate
CID 109009936
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate
CID 108525910
ethyl 4-[[2-(3,5-dichloroanilino)acetyl]amino]benzoate
CID 109011040
ethyl 4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]amino]benzoate
CID 29470932
ethyl 4-[[6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112860689
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
methyl 4-(pyridin-2-ylcarbamothioylamino)benzoate
CID 726295

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate (CID 156597569) is ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate is CCOC(=O)c1ccc(NCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate?
The InChIKey is DUXMJDBJCNTOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-22-16(21)12-6-8-13(9-7-12)18-11-15(20)19-14-5-3-4-10-17-14/h3-10,18H,2,11H2,1H3,(H,17,19,20).
What are the key properties of ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate?
ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate has a molecular weight of 299.33 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-oxo-2-(pyridin-2-ylamino)ethyl]amino]benzoate is sourced from PubChem (CID 156597569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).