N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide

C15H15FN6O2 — CID 51033983

IUPACN-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide
SMILESCCN(C)C(=O)n1c(=O)n(C)c2nc(-c3ccnc(F)c3)ncc21
InChIInChI=1S/C15H15FN6O2/c1-4-20(2)14(23)22-10-8-18-12(9-5-6-17-11(16)7-9)19-13(10)21(3)15(22)24/h5-8H,4H2,1-3H3
InChIKeyAZSVUDNMYFHEON-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.25
Rot. Bonds2

About N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide

N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide (PubChem CID 51033983) has the molecular formula C15H15FN6O2 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide
PubChem CID51033983
Molecular FormulaC15H15FN6O2
Molecular Weight330.32 g/mol
Exact Mass330.12
IUPAC NameN-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide
SMILESCCN(C)C(=O)n1c(=O)n(C)c2nc(-c3ccnc(F)c3)ncc21
InChIInChI=1S/C15H15FN6O2/c1-4-20(2)14(23)22-10-8-18-12(9-5-6-17-11(16)7-9)19-13(10)21(3)15(22)24/h5-8H,4H2,1-3H3
InChIKeyAZSVUDNMYFHEON-UHFFFAOYSA-N
XLogP1.25
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide 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 N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide?
The IUPAC name of N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide (CID 51033983) is N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide?
The canonical SMILES for N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide is CCN(C)C(=O)n1c(=O)n(C)c2nc(-c3ccnc(F)c3)ncc21.
What is the InChIKey of N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide?
The InChIKey is AZSVUDNMYFHEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O2/c1-4-20(2)14(23)22-10-8-18-12(9-5-6-17-11(16)7-9)19-13(10)21(3)15(22)24/h5-8H,4H2,1-3H3.
What are the key properties of N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide?
N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluoro-4-pyridinyl)-N,9-dimethyl-8-oxopurine-7-carboxamide is sourced from PubChem (CID 51033983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).