ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate

C13H12N4O3 — CID 3956092

IUPACethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2ncccn2)n1
InChIInChI=1S/C13H12N4O3/c1-2-20-12(19)10-6-3-5-9(16-10)11(18)17-13-14-7-4-8-15-13/h3-8H,2H2,1H3,(H,14,15,17,18)
InChIKeyPSFGHTLSFQGUNS-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.30
Rot. Bonds4

About ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate

ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate (PubChem CID 3956092) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate
PubChem CID3956092
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Nameethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(=O)Nc2ncccn2)n1
InChIInChI=1S/C13H12N4O3/c1-2-20-12(19)10-6-3-5-9(16-10)11(18)17-13-14-7-4-8-15-13/h3-8H,2H2,1H3,(H,14,15,17,18)
InChIKeyPSFGHTLSFQGUNS-UHFFFAOYSA-N
XLogP1.30
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-(pyrimidin-2-ylcarbamoyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate (CID 3956092) is ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate is CCOC(=O)c1cccc(C(=O)Nc2ncccn2)n1.
What is the InChIKey of ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate?
The InChIKey is PSFGHTLSFQGUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-2-20-12(19)10-6-3-5-9(16-10)11(18)17-13-14-7-4-8-15-13/h3-8H,2H2,1H3,(H,14,15,17,18).
What are the key properties of ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate?
ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(pyrimidin-2-ylcarbamoyl)pyridine-2-carboxylate is sourced from PubChem (CID 3956092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).