N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide

C23H22N3O3+ — CID 46257220

IUPACN-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCOc1ccc(NC(=O)C2c3cccc[n+]3CC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16-6-10-18(11-7-16)26-21(27)15-25-14-4-3-5-20(25)22(26)23(28)24-17-8-12-19(29-2)13-9-17/h3-14,22H,15H2,1-2H3/p+1
InChIKeyUEPFFPOUPSOKIG-UHFFFAOYSA-O
MW388.45 g/mol
LogP3.02
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide

N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (PubChem CID 46257220) has the molecular formula C23H22N3O3+ and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
PubChem CID46257220
Molecular FormulaC23H22N3O3+
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCOc1ccc(NC(=O)C2c3cccc[n+]3CC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H21N3O3/c1-16-6-10-18(11-7-16)26-21(27)15-25-14-4-3-5-20(25)22(26)23(28)24-17-8-12-19(29-2)13-9-17/h3-14,22H,15H2,1-2H3/p+1
InChIKeyUEPFFPOUPSOKIG-UHFFFAOYSA-O
XLogP3.02
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051748
N-(4-methoxyphenyl)-2-(3-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257143
N-(4-methoxyphenyl)-2-(3-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051733
N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46246385
2-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051741
(1S)-N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 92666347
N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257136
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
2-(3-chloro-2-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051794
N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3837519
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(1S,4S)-N-(4-bromophenyl)-2-(4-methoxyphenyl)-4-methyl-3-oxo-1,4-dihydropyrrolo[1,2-a]pyrazine-1-carboxamide
CID 102402698

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (CID 46257220) is N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is COc1ccc(NC(=O)C2c3cccc[n+]3CC(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The InChIKey is UEPFFPOUPSOKIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H21N3O3/c1-16-6-10-18(11-7-16)26-21(27)15-25-14-4-3-5-20(25)22(26)23(28)24-17-8-12-19(29-2)13-9-17/h3-14,22H,15H2,1-2H3/p+1.
What are the key properties of N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is sourced from PubChem (CID 46257220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).