N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide

C25H27FN4O2 — CID 52906227

IUPACN-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide
SMILESCCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)N(CC)c3ccccc3)c(=O)c2C1
InChIInChI=1S/C25H27FN4O2/c1-3-28-15-14-22-21(16-28)25(32)30(24(27-22)18-10-12-19(26)13-11-18)17-23(31)29(4-2)20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3
InChIKeyMYMZGVROJFQFJY-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide

N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide (PubChem CID 52906227) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide
PubChem CID52906227
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide
SMILESCCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)N(CC)c3ccccc3)c(=O)c2C1
InChIInChI=1S/C25H27FN4O2/c1-3-28-15-14-22-21(16-28)25(32)30(24(27-22)18-10-12-19(26)13-11-18)17-23(31)29(4-2)20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3
InChIKeyMYMZGVROJFQFJY-UHFFFAOYSA-N
XLogP3.48
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide 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-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide (CID 52906227) is N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide is CCN1CCc2nc(-c3ccc(F)cc3)n(CC(=O)N(CC)c3ccccc3)c(=O)c2C1.
What is the InChIKey of N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide?
The InChIKey is MYMZGVROJFQFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-3-28-15-14-22-21(16-28)25(32)30(24(27-22)18-10-12-19(26)13-11-18)17-23(31)29(4-2)20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3.
What are the key properties of N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide?
N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide has a molecular weight of 434.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-ethyl-2-(4-fluorophenyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 52906227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).