(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate

C20H19N3O4 — CID 8610205

IUPAC(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-3-8-18-22-17(10-19(25)23(18)11-13)12-27-20(26)9-15-4-6-16(7-5-15)21-14(2)24/h3-8,10-11H,9,12H2,1-2H3,(H,21,24)
InChIKeyMXTGHXLCKFYYAS-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.25
Rot. Bonds5

About (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate (PubChem CID 8610205) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate
PubChem CID8610205
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-3-8-18-22-17(10-19(25)23(18)11-13)12-27-20(26)9-15-4-6-16(7-5-15)21-14(2)24/h3-8,10-11H,9,12H2,1-2H3,(H,21,24)
InChIKeyMXTGHXLCKFYYAS-UHFFFAOYSA-N
XLogP2.25
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate (CID 8610205) is (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc1.
What is the InChIKey of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The InChIKey is MXTGHXLCKFYYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-3-8-18-22-17(10-19(25)23(18)11-13)12-27-20(26)9-15-4-6-16(7-5-15)21-14(2)24/h3-8,10-11H,9,12H2,1-2H3,(H,21,24).
What are the key properties of (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate?
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate has a molecular weight of 365.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8610205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).