ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate

C11H13IN2O3 — CID 178066359

IUPACethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(I)ccc1NC(=O)CC
InChIInChI=1S/C11H13IN2O3/c1-3-9(15)13-7-5-6-8(12)14-10(7)11(16)17-4-2/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyJXYLXZOLUHUAEC-UHFFFAOYSA-N
MW348.14 g/mol
LogP2.21
Rot. Bonds4

About ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate

ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate (PubChem CID 178066359) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate
PubChem CID178066359
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Nameethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate
SMILESCCOC(=O)c1nc(I)ccc1NC(=O)CC
InChIInChI=1S/C11H13IN2O3/c1-3-9(15)13-7-5-6-8(12)14-10(7)11(16)17-4-2/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyJXYLXZOLUHUAEC-UHFFFAOYSA-N
XLogP2.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze ethyl 6-iodo-3-(propanoylamino)pyridine-2-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

ethyl 3-acetamido-6-bromopyridine-2-carboxylate
CID 90044467
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 3-chloro-6-iodopyrazine-2-carboxylate
CID 139269907
ethyl 6-bromo-3-(2-methylpropylamino)pyridine-2-carboxylate
CID 162369553
N-(4-amino-2-methylphenyl)propanamide
CID 839309
ethyl 3-iodopyridazine-4-carboxylate
CID 15882193
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 3-methyl-4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfonylamino]benzoate
CID 100663733
(3-ethoxycarbonylphenyl)methyl 4-methyl-3-(propanoylamino)benzoate
CID 1218695
N-(4-amino-2-ethoxyphenyl)propanamide
CID 95910426
N-(2-amino-4-ethoxyphenyl)propanamide
CID 83506350
diethyl 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 6619290

Frequently Asked Questions

What is the IUPAC name of ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate (CID 178066359) is ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate is CCOC(=O)c1nc(I)ccc1NC(=O)CC.
What is the InChIKey of ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate?
The InChIKey is JXYLXZOLUHUAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-3-9(15)13-7-5-6-8(12)14-10(7)11(16)17-4-2/h5-6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate?
ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate has a molecular weight of 348.14 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-iodo-3-(propanoylamino)pyridine-2-carboxylate is sourced from PubChem (CID 178066359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).