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

C25H26N3O2+ — CID 46257219

IUPAC2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCCc1cccc(C)c1N1C(=O)C[n+]2ccccc2C1C(=O)Nc1ccccc1C
InChIInChI=1S/C25H25N3O2/c1-4-19-12-9-11-18(3)23(19)28-22(29)16-27-15-8-7-14-21(27)24(28)25(30)26-20-13-6-5-10-17(20)2/h5-15,24H,4,16H2,1-3H3/p+1
InChIKeyHUAPWIYCGBBIBB-UHFFFAOYSA-O
MW400.50 g/mol
LogP3.88
Rot. Bonds4

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

2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (PubChem CID 46257219) has the molecular formula C25H26N3O2+ and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
PubChem CID46257219
Molecular FormulaC25H26N3O2+
Molecular Weight400.50 g/mol
Exact Mass400.20
IUPAC Name2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCCc1cccc(C)c1N1C(=O)C[n+]2ccccc2C1C(=O)Nc1ccccc1C
InChIInChI=1S/C25H25N3O2/c1-4-19-12-9-11-18(3)23(19)28-22(29)16-27-15-8-7-14-21(27)24(28)25(30)26-20-13-6-5-10-17(20)2/h5-15,24H,4,16H2,1-3H3/p+1
InChIKeyHUAPWIYCGBBIBB-UHFFFAOYSA-O
XLogP3.88
TPSA53.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257136
2-(3-chloro-2-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051794
2-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 6622745
N-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46246385
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
N-(4-methoxyphenyl)-2-(3-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257143
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469
ethyl 2-[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113186501
2-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051748
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The IUPAC name of 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (CID 46257219) is 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.
What is the SMILES notation for 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The canonical SMILES for 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is CCc1cccc(C)c1N1C(=O)C[n+]2ccccc2C1C(=O)Nc1ccccc1C.
What is the InChIKey of 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The InChIKey is HUAPWIYCGBBIBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H25N3O2/c1-4-19-12-9-11-18(3)23(19)28-22(29)16-27-15-8-7-14-21(27)24(28)25(30)26-20-13-6-5-10-17(20)2/h5-15,24H,4,16H2,1-3H3/p+1.
What are the key properties of 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-methylphenyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is sourced from PubChem (CID 46257219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).