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

C24H23ClN3O2+ — CID 46257173

IUPACN-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCc1ccc(N2C(=O)C[n+]3ccccc3C2(C)C(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C24H22ClN3O2/c1-16-7-12-20(14-17(16)2)28-22(29)15-27-13-5-4-6-21(27)24(28,3)23(30)26-19-10-8-18(25)9-11-19/h4-14H,15H2,1-3H3/p+1
InChIKeyNHOQGABQNCUYIL-UHFFFAOYSA-O
MW420.92 g/mol
LogP4.15
Rot. Bonds3

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

N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide (PubChem CID 46257173) has the molecular formula C24H23ClN3O2+ and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
PubChem CID46257173
Molecular FormulaC24H23ClN3O2+
Molecular Weight420.92 g/mol
Exact Mass420.15
IUPAC NameN-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
SMILESCc1ccc(N2C(=O)C[n+]3ccccc3C2(C)C(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C24H22ClN3O2/c1-16-7-12-20(14-17(16)2)28-22(29)15-27-13-5-4-6-21(27)24(28,3)23(30)26-19-10-8-18(25)9-11-19/h4-14H,15H2,1-3H3/p+1
InChIKeyNHOQGABQNCUYIL-UHFFFAOYSA-O
XLogP4.15
TPSA53.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 46257175
2-(4-acetamidophenyl)-N-(4-chlorophenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide iodide
CID 126460299
N,1-bis(4-chlorophenyl)-4-oxo-2-phenylazetidine-2-carboxamide
CID 4552745
N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
CID 3738849
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
N,1-bis(4-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)-4-oxoazetidine-2-carboxamide
CID 3625796
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
1-[(4-chlorophenyl)methyl]-3-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7543334
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 43970488
(1S)-N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide
CID 92666347

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide (CID 46257173) is N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide is Cc1ccc(N2C(=O)C[n+]3ccccc3C2(C)C(=O)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
The InChIKey is NHOQGABQNCUYIL-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H22ClN3O2/c1-16-7-12-20(14-17(16)2)28-22(29)15-27-13-5-4-6-21(27)24(28,3)23(30)26-19-10-8-18(25)9-11-19/h4-14H,15H2,1-3H3/p+1.
What are the key properties of N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide?
N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-1-methyl-3-oxo-4H-pyrido[1,2-a]pyrazin-5-ium-1-carboxamide is sourced from PubChem (CID 46257173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).