N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide

C17H15N3O3 — CID 7217024

IUPACN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)COc1ccccc1
InChIInChI=1S/C17H15N3O3/c1-12-16(17(22)20-10-6-5-9-14(20)18-12)19-15(21)11-23-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyNFMQQFQFZCLREM-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.02
Rot. Bonds4

About N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide

N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide (PubChem CID 7217024) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
PubChem CID7217024
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide
SMILESCc1nc2ccccn2c(=O)c1NC(=O)COc1ccccc1
InChIInChI=1S/C17H15N3O3/c1-12-16(17(22)20-10-6-5-9-14(20)18-12)19-15(21)11-23-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,21)
InChIKeyNFMQQFQFZCLREM-UHFFFAOYSA-N
XLogP2.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide 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-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The IUPAC name of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide (CID 7217024) is N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide is Cc1nc2ccccn2c(=O)c1NC(=O)COc1ccccc1.
What is the InChIKey of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
The InChIKey is NFMQQFQFZCLREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-12-16(17(22)20-10-6-5-9-14(20)18-12)19-15(21)11-23-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide?
N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide has a molecular weight of 309.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-phenoxyacetamide is sourced from PubChem (CID 7217024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).