N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H12FN3O2 — CID 3079288

IUPACN-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n12
InChIInChI=1S/C16H12FN3O2/c1-10-3-2-4-14-18-9-13(16(22)20(10)14)15(21)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,21)
InChIKeyUEHBHFUOPPIXOA-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.39
Rot. Bonds2

About N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079288) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079288
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n12
InChIInChI=1S/C16H12FN3O2/c1-10-3-2-4-14-18-9-13(16(22)20(10)14)15(21)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,21)
InChIKeyUEHBHFUOPPIXOA-UHFFFAOYSA-N
XLogP2.39
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-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-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079288) is N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n12.
What is the InChIKey of N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UEHBHFUOPPIXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-10-3-2-4-14-18-9-13(16(22)20(10)14)15(21)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).