ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate

C15H15N3O3 — CID 6468586

IUPACethyl 4-(pyridin-2-ylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-21-14(19)11-6-8-12(9-7-11)17-15(20)18-13-5-3-4-10-16-13/h3-10H,2H2,1H3,(H2,16,17,18,20)
InChIKeyWAUXWQPEINJXKO-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.90
Rot. Bonds4

About ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate

ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate (PubChem CID 6468586) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(pyridin-2-ylcarbamoylamino)benzoate
PubChem CID6468586
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Nameethyl 4-(pyridin-2-ylcarbamoylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C15H15N3O3/c1-2-21-14(19)11-6-8-12(9-7-11)17-15(20)18-13-5-3-4-10-16-13/h3-10H,2H2,1H3,(H2,16,17,18,20)
InChIKeyWAUXWQPEINJXKO-UHFFFAOYSA-N
XLogP2.90
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate?
The IUPAC name of ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate (CID 6468586) is ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate?
The canonical SMILES for ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate is CCOC(=O)c1ccc(NC(=O)Nc2ccccn2)cc1.
What is the InChIKey of ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate?
The InChIKey is WAUXWQPEINJXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-21-14(19)11-6-8-12(9-7-11)17-15(20)18-13-5-3-4-10-16-13/h3-10H,2H2,1H3,(H2,16,17,18,20).
What are the key properties of ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate?
ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(pyridin-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 6468586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).