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

C20H19N3O4 — CID 8608147

IUPAC(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3c(C)cccc3n2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-4-3-5-18-22-17(11-19(25)23(13)18)12-27-20(26)10-15-6-8-16(9-7-15)21-14(2)24/h3-9,11H,10,12H2,1-2H3,(H,21,24)
InChIKeyPTCSVJPMNBAUES-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.25
Rot. Bonds5

About (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate

(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate (PubChem CID 8608147) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate
PubChem CID8608147
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3c(C)cccc3n2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-4-3-5-18-22-17(11-19(25)23(13)18)12-27-20(26)10-15-6-8-16(9-7-15)21-14(2)24/h3-9,11H,10,12H2,1-2H3,(H,21,24)
InChIKeyPTCSVJPMNBAUES-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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Related Compounds

12H-Quino(2,1-b)quinazoline-5-carboxylic acid, 12-oxo-, ethyl ester
CID 379480
butyl 4-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamido)benzoate
CID 16010514
ethyl 4-(2,6-dimethyl-4-oxo-5-phenyl-1(4H)-pyrimidinyl)benzoate
CID 755634
Dimethyl 6-(butylimino)-1,4-diphenyl-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675021
Dimethyl 1,4-diphenyl-6-(phenylimino)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675025
Dimethyl 4-phenyl-1-(p-tolyl)-6-(p-tolylimino)-1,6-dihydropyridine-2,3-dicarboxylate
CID 146675039
(6-Methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-fluoroanilino)benzoate
CID 42936478
Butyl 4-{4-oxo-4H-pyrido[1,2-A]pyrimidine-3-amido}benzoate
CID 20878668
Butyl 4-{8-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-amido}benzoate
CID 20878688
Ethyl 4-{7-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-amido}benzoate
CID 20878742
{2-Methyl-7-oxo-7H-[1,2]oxazolo[2,3-A]pyrimidin-5-YL}methyl 4-(2,2-dimethylpropanamido)benzoate
CID 20953166
ethyl 4-(2-(2-methyl-4-oxo-5,6,7,8-tetrahydroquinazolin-3(4H)-yl)acetamido)benzoate
CID 49664912

Frequently Asked Questions

What is the IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate (CID 8608147) is (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCc2cc(=O)n3c(C)cccc3n2)cc1.
What is the InChIKey of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate?
The InChIKey is PTCSVJPMNBAUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-4-3-5-18-22-17(11-19(25)23(13)18)12-27-20(26)10-15-6-8-16(9-7-15)21-14(2)24/h3-9,11H,10,12H2,1-2H3,(H,21,24).
What are the key properties of (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate?
(6-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 (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8608147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).