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

C18H21N3O4 — CID 109166844

IUPACethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C(=O)NCCOC)ccn2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-25-18(23)13-4-6-15(7-5-13)21-16-12-14(8-9-19-16)17(22)20-10-11-24-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDKOBEWDPZHNVLJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.38
Rot. Bonds8

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

ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate (PubChem CID 109166844) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
PubChem CID109166844
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nameethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(C(=O)NCCOC)ccn2)cc1
InChIInChI=1S/C18H21N3O4/c1-3-25-18(23)13-4-6-15(7-5-13)21-16-12-14(8-9-19-16)17(22)20-10-11-24-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDKOBEWDPZHNVLJ-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'}

Analyze ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[6-(2-methoxyethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109343078
ethyl 4-[[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 46283329
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
ethyl 4-[[5-(2-methoxyethylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109275812
ethyl 4-[[5-(2-methoxyethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109227795
2-(3,4-dimethylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167052
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
ethyl 4-[[2-(3-methoxyanilino)pyridine-4-carbonyl]amino]benzoate
CID 109178018

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate (CID 109166844) is ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate is CCOC(=O)c1ccc(Nc2cc(C(=O)NCCOC)ccn2)cc1.
What is the InChIKey of ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate?
The InChIKey is DKOBEWDPZHNVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-25-18(23)13-4-6-15(7-5-13)21-16-12-14(8-9-19-16)17(22)20-10-11-24-2/h4-9,12H,3,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate?
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-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-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 109166844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).