2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide

C24H22ClN4O3+ — CID 46257175

IUPAC2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[n+]3ccccc3C2(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O3/c1-16(30)26-18-10-12-20(13-11-18)29-22(31)15-28-14-4-3-5-21(28)24(29,2)23(32)27-19-8-6-17(25)7-9-19/h3-14H,15H2,1-2H3,(H-,26,27,30,32)/p+1
InChIKeyGNRVWVQKZXFWCP-UHFFFAOYSA-O
MW449.92 g/mol
LogP3.49
Rot. Bonds4

About 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide

2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide (PubChem CID 46257175) has the molecular formula C24H22ClN4O3+ and a molecular weight of 449.92 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
PubChem CID46257175
Molecular FormulaC24H22ClN4O3+
Molecular Weight449.92 g/mol
Exact Mass449.14
IUPAC Name2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCC(=O)Nc1ccc(N2C(=O)C[n+]3ccccc3C2(C)C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN4O3/c1-16(30)26-18-10-12-20(13-11-18)29-22(31)15-28-14-4-3-5-21(28)24(29,2)23(32)27-19-8-6-17(25)7-9-19/h3-14H,15H2,1-2H3,(H-,26,27,30,32)/p+1
InChIKeyGNRVWVQKZXFWCP-UHFFFAOYSA-O
XLogP3.49
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 53.49
H-Bond Donors ≤ 52
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-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 126460299
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257173
N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
CID 3738849
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
CID 3625796
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-[4-[(3S)-3-[2-(4-chlorophenyl)ethylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1166734
2-(2-chlorophenyl)-N,1-bis(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3809536
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-[4-[[4-(4-chlorophenyl)piperazin-1-ium-1-yl]methyl]phenyl]acetamide
CID 6939888
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
(1R,9S,13S)-N-(4-chlorophenyl)-10-(4-ethylphenyl)-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamide
CID 124835287

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide (CID 46257175) is 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide is CC(=O)Nc1ccc(N2C(=O)C[n+]3ccccc3C2(C)C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The InChIKey is GNRVWVQKZXFWCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H21ClN4O3/c1-16(30)26-18-10-12-20(13-11-18)29-22(31)15-28-14-4-3-5-21(28)24(29,2)23(32)27-19-8-6-17(25)7-9-19/h3-14H,15H2,1-2H3,(H-,26,27,30,32)/p+1.
What are the key properties of 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide has a molecular weight of 449.92 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide is sourced from PubChem (CID 46257175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).