2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide

C14H16FN3O3 — CID 149392687

IUPAC2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide
SMILESCCc1nc2c(F)cc(C)cn2c(=O)c1OCC(=O)NC
InChIInChI=1S/C14H16FN3O3/c1-4-10-12(21-7-11(19)16-3)14(20)18-6-8(2)5-9(15)13(18)17-10/h5-6H,4,7H2,1-3H3,(H,16,19)
InChIKeyYNVPSQRLBZZZHL-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.83
Rot. Bonds4

About 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide

2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide (PubChem CID 149392687) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide.

Molecular Properties

Compound Name2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide
PubChem CID149392687
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide
SMILESCCc1nc2c(F)cc(C)cn2c(=O)c1OCC(=O)NC
InChIInChI=1S/C14H16FN3O3/c1-4-10-12(21-7-11(19)16-3)14(20)18-6-8(2)5-9(15)13(18)17-10/h5-6H,4,7H2,1-3H3,(H,16,19)
InChIKeyYNVPSQRLBZZZHL-UHFFFAOYSA-N
XLogP0.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide?
The IUPAC name of 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide (CID 149392687) is 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide.
What is the SMILES notation for 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide?
The canonical SMILES for 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide is CCc1nc2c(F)cc(C)cn2c(=O)c1OCC(=O)NC.
What is the InChIKey of 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide?
The InChIKey is YNVPSQRLBZZZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-4-10-12(21-7-11(19)16-3)14(20)18-6-8(2)5-9(15)13(18)17-10/h5-6H,4,7H2,1-3H3,(H,16,19).
What are the key properties of 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide?
2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide has a molecular weight of 293.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-9-fluoro-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)oxy-N-methylacetamide is sourced from PubChem (CID 149392687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).