ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate

C15H14ClN3O3 — CID 168929424

IUPACethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)cc(-c2ccnc(NC(C)=O)c2)n1
InChIInChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-8-11(16)7-12(19-13)10-4-5-17-14(6-10)18-9(2)20/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyCYBDSOKPNPREIQ-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.93
Rot. Bonds4

About ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate

ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate (PubChem CID 168929424) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate
PubChem CID168929424
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC Nameethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)cc(-c2ccnc(NC(C)=O)c2)n1
InChIInChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-8-11(16)7-12(19-13)10-4-5-17-14(6-10)18-9(2)20/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyCYBDSOKPNPREIQ-UHFFFAOYSA-N
XLogP2.93
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate?
The IUPAC name of ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate (CID 168929424) is ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate is CCOC(=O)c1cc(Cl)cc(-c2ccnc(NC(C)=O)c2)n1.
What is the InChIKey of ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate?
The InChIKey is CYBDSOKPNPREIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-3-22-15(21)13-8-11(16)7-12(19-13)10-4-5-17-14(6-10)18-9(2)20/h4-8H,3H2,1-2H3,(H,17,18,20).
What are the key properties of ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate?
ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate has a molecular weight of 319.75 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-acetamido-4-pyridinyl)-4-chloropyridine-2-carboxylate is sourced from PubChem (CID 168929424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).