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

C16H16N3O2+ — CID 6622711

IUPAC2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCN1C(=O)C[n+]2ccccc2C1C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N3O2/c1-18-14(20)11-19-10-6-5-9-13(19)15(18)16(21)17-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3/p+1
InChIKeyUIFQCKYPHDRTAU-UHFFFAOYSA-O
MW282.32 g/mol
LogP1.13
Rot. Bonds2

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

2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (PubChem CID 6622711) has the molecular formula C16H16N3O2+ and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
PubChem CID6622711
Molecular FormulaC16H16N3O2+
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCN1C(=O)C[n+]2ccccc2C1C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N3O2/c1-18-14(20)11-19-10-6-5-9-13(19)15(18)16(21)17-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3/p+1
InChIKeyUIFQCKYPHDRTAU-UHFFFAOYSA-O
XLogP1.13
TPSA53.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.13
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide (CID 6622711) is 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is CN1C(=O)C[n+]2ccccc2C1C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The InChIKey is UIFQCKYPHDRTAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15N3O2/c1-18-14(20)11-19-10-6-5-9-13(19)15(18)16(21)17-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3/p+1.
What are the key properties of 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide has a molecular weight of 282.32 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-phenyl-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide is sourced from PubChem (CID 6622711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).