N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide

C24H24N3O3+ — CID 46246385

IUPACN-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCOc1ccc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C24H23N3O3/c1-16-7-6-8-17(2)22(16)25-24(29)23-20-9-4-5-14-26(20)15-21(28)27(23)18-10-12-19(30-3)13-11-18/h4-14,23H,15H2,1-3H3/p+1
InChIKeyRTGYLFBYWIQRKO-UHFFFAOYSA-O
MW402.47 g/mol
LogP3.33
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide

N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (PubChem CID 46246385) has the molecular formula C24H24N3O3+ and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
PubChem CID46246385
Molecular FormulaC24H24N3O3+
Molecular Weight402.47 g/mol
Exact Mass402.18
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCOc1ccc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C24H23N3O3/c1-16-7-6-8-17(2)22(16)25-24(29)23-20-9-4-5-14-26(20)15-21(28)27(23)18-10-12-19(30-3)13-11-18/h4-14,23H,15H2,1-3H3/p+1
InChIKeyRTGYLFBYWIQRKO-UHFFFAOYSA-O
XLogP3.33
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.33
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

N-(2,6-dimethylphenyl)-2-(4-fluorophenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051749
N-(4-methoxyphenyl)-2-(4-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257220
N-(2,6-dimethylphenyl)-2-(2-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051785
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-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257136
2-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051741
2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257219
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-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374182
1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
CID 109139522

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (CID 46246385) is N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is COc1ccc(N2C(=O)C[n+]3ccccc3C2C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The InChIKey is RTGYLFBYWIQRKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H23N3O3/c1-16-7-6-8-17(2)22(16)25-24(29)23-20-9-4-5-14-26(20)15-21(28)27(23)18-10-12-19(30-3)13-11-18/h4-14,23H,15H2,1-3H3/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is sourced from PubChem (CID 46246385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).