ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate

C17H17N3O4 — CID 110439896

IUPACethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H17N3O4/c1-3-24-17(23)14-8-5-9-18-15(14)20-16(22)12-6-4-7-13(10-12)19-11(2)21/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyIGIAQBDIABHNNA-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.47
Rot. Bonds5

About ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate

ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate (PubChem CID 110439896) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate
PubChem CID110439896
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC(=O)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H17N3O4/c1-3-24-17(23)14-8-5-9-18-15(14)20-16(22)12-6-4-7-13(10-12)19-11(2)21/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22)
InChIKeyIGIAQBDIABHNNA-UHFFFAOYSA-N
XLogP2.47
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate 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

3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
ethyl 3-acetamidobenzoate
CID 700589
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
ethyl 2-[(2-methoxybenzoyl)amino]pyridine-3-carboxylate
CID 110443915
2-ethoxy-N-[3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 17392452
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-(1H-pyrrole-2-carbonylamino)pyridine-3-carboxylate
CID 110445359
ethyl 2-[[3-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 4661420
ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
CID 19085386
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
ethyl 2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]benzoate
CID 108792456
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate (CID 110439896) is ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC(=O)c1cccc(NC(C)=O)c1.
What is the InChIKey of ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate?
The InChIKey is IGIAQBDIABHNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-24-17(23)14-8-5-9-18-15(14)20-16(22)12-6-4-7-13(10-12)19-11(2)21/h4-10H,3H2,1-2H3,(H,19,21)(H,18,20,22).
What are the key properties of ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate?
ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 110439896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).