[2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium

C22H27N4O3+ — CID 8678751

IUPAC[2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1OC)Cc1cc(=O)n2c(C)cccc2n1
InChIInChI=1S/C22H26N4O3/c1-4-12-25(15-21(27)24-18-9-5-6-10-19(18)29-3)14-17-13-22(28)26-16(2)8-7-11-20(26)23-17/h5-11,13H,4,12,14-15H2,1-3H3,(H,24,27)/p+1
InChIKeyNSOACXWHHJFGOT-UHFFFAOYSA-O
MW395.48 g/mol
LogP1.45
Rot. Bonds8

About [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium

[2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium (PubChem CID 8678751) has the molecular formula C22H27N4O3+ and a molecular weight of 395.48 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium
PubChem CID8678751
Molecular FormulaC22H27N4O3+
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium
SMILESCCC[NH+](CC(=O)Nc1ccccc1OC)Cc1cc(=O)n2c(C)cccc2n1
InChIInChI=1S/C22H26N4O3/c1-4-12-25(15-21(27)24-18-9-5-6-10-19(18)29-3)14-17-13-22(28)26-16(2)8-7-11-20(26)23-17/h5-11,13H,4,12,14-15H2,1-3H3,(H,24,27)/p+1
InChIKeyNSOACXWHHJFGOT-UHFFFAOYSA-O
XLogP1.45
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium with MolForge

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-propylazanium
CID 2161355
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]methyl-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 11924430
[2-(2-methoxyanilino)-2-oxoethyl]-[[4-oxo-7-(trifluoromethyl)-3H-quinazolin-2-yl]methyl]-propylazanium
CID 135743790
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9168816
[2-(cyclohexylamino)-2-oxoethyl]-[2-(2-methoxyanilino)-2-oxoethyl]-propylazanium
CID 9169067
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-acetamido-4,5-dimethoxybenzoate
CID 55356459
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
[2-(3,5-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029684
(5-acetyl-2-methoxyphenyl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8810019
(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
CID 8800677
butyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135729538

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium (CID 8678751) is [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium is CCC[NH+](CC(=O)Nc1ccccc1OC)Cc1cc(=O)n2c(C)cccc2n1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium?
The InChIKey is NSOACXWHHJFGOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O3/c1-4-12-25(15-21(27)24-18-9-5-6-10-19(18)29-3)14-17-13-22(28)26-16(2)8-7-11-20(26)23-17/h5-11,13H,4,12,14-15H2,1-3H3,(H,24,27)/p+1.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium?
[2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium has a molecular weight of 395.48 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl]-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-propylazanium is sourced from PubChem (CID 8678751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).