ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate

C18H21N3O4 — CID 109184186

IUPACethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(NCCOC)cn1
InChIInChI=1S/C18H21N3O4/c1-3-25-18(23)14-6-4-5-7-15(14)21-17(22)16-9-8-13(12-20-16)19-10-11-24-2/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyIPBZDQXCSQWSKO-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.57
Rot. Bonds8

About ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate

ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate (PubChem CID 109184186) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
PubChem CID109184186
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nameethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(NCCOC)cn1
InChIInChI=1S/C18H21N3O4/c1-3-25-18(23)14-6-4-5-7-15(14)21-17(22)16-9-8-13(12-20-16)19-10-11-24-2/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyIPBZDQXCSQWSKO-UHFFFAOYSA-N
XLogP2.57
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195914
ethyl 2-[[5-(propan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109179823
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109189577
methyl 2-[[5-(butylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180957
ethyl 2-[[6-[(2-methoxyphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199714
ethyl 2-[[5-(cyclopropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109180218
ethyl 2-[[5-(2,5-dimethylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109198079
ethyl 2-[[6-(2-methoxyethylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109364795
methyl 2-[[5-[3-(dimethylamino)propylamino]pyridine-2-carbonyl]amino]benzoate
CID 109186207
ethyl 2-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287450
ethyl 2-[[6-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109195810
ethyl 2-[[5-(2-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109284014

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate (CID 109184186) is ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(NCCOC)cn1.
What is the InChIKey of ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate?
The InChIKey is IPBZDQXCSQWSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-25-18(23)14-6-4-5-7-15(14)21-17(22)16-9-8-13(12-20-16)19-10-11-24-2/h4-9,12,19H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate?
ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 109184186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).