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

C22H20N3O2+ — CID 46257136

IUPACN-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCc1ccccc1NC(=O)C1c2cccc[n+]2CC(=O)N1c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-16-9-5-6-12-18(16)23-22(27)21-19-13-7-8-14-24(19)15-20(26)25(21)17-10-3-2-4-11-17/h2-14,21H,15H2,1H3/p+1
InChIKeyUHSPUKNAWQSVSC-UHFFFAOYSA-O
MW358.42 g/mol
LogP3.01
Rot. Bonds3

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

N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (PubChem CID 46257136) has the molecular formula C22H20N3O2+ and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
PubChem CID46257136
Molecular FormulaC22H20N3O2+
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC NameN-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCc1ccccc1NC(=O)C1c2cccc[n+]2CC(=O)N1c1ccccc1
InChIInChI=1S/C22H19N3O2/c1-16-9-5-6-12-18(16)23-22(27)21-19-13-7-8-14-24(19)15-20(26)25(21)17-10-3-2-4-11-17/h2-14,21H,15H2,1H3/p+1
InChIKeyUHSPUKNAWQSVSC-UHFFFAOYSA-O
XLogP3.01
TPSA53.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.01
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

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-(2,6-dimethylphenyl)-2-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46246385
N-(4-methoxyphenyl)-2-(3-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257143
2-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 6622745
2-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051748
2-(2,4-dimethylphenyl)-N-(4-methoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 146051741
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
(1S,6S)-3,4-dimethyl-6-[(2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 842157
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
(1S,2R,3R,4R)-3-[(2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 11896564

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (CID 46257136) is N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is Cc1ccccc1NC(=O)C1c2cccc[n+]2CC(=O)N1c1ccccc1.
What is the InChIKey of N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The InChIKey is UHSPUKNAWQSVSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19N3O2/c1-16-9-5-6-12-18(16)23-22(27)21-19-13-7-8-14-24(19)15-20(26)25(21)17-10-3-2-4-11-17/h2-14,21H,15H2,1H3/p+1.
What are the key properties of N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-oxo-2-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is sourced from PubChem (CID 46257136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).