ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate

C18H21N3O4 — CID 109227795

IUPACethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cncc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-25-18(23)13-4-6-15(7-5-13)21-16-10-14(11-19-12-16)17(22)20-8-9-24-2/h4-7,10-12,21H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyRIMYJEJUMOPZQH-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.38
Rot. Bonds8

About ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate

ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate (PubChem CID 109227795) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
PubChem CID109227795
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nameethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cncc(C(=O)NCCOC)c2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-25-18(23)13-4-6-15(7-5-13)21-16-10-14(11-19-12-16)17(22)20-8-9-24-2/h4-7,10-12,21H,3,8-9H2,1-2H3,(H,20,22)
InChIKeyRIMYJEJUMOPZQH-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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

5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
ethyl 4-[[5-(pyridin-4-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235609
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844
ethyl 4-[[5-[(2-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109244137
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099
ethyl 4-[[5-(2-methoxyethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109275812
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
ethyl 4-[[6-(2-methoxyethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109343078
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
5-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228089
5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227768

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate (CID 109227795) is ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2cncc(C(=O)NCCOC)c2)cc1.
What is the InChIKey of ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate?
The InChIKey is RIMYJEJUMOPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-25-18(23)13-4-6-15(7-5-13)21-16-10-14(11-19-12-16)17(22)20-8-9-24-2/h4-7,10-12,21H,3,8-9H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate?
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate has a molecular weight of 343.38 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate is sourced from PubChem (CID 109227795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).