1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide

C21H21N3O4S — CID 7598626

IUPAC1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2=O)c1
InChIInChI=1S/C21H21N3O4S/c1-14-5-6-15(2)16(12-14)13-24-11-3-4-19(21(24)26)20(25)23-17-7-9-18(10-8-17)29(22,27)28/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,27,28)
InChIKeyJXHQCVHAZNOYRA-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.41
Rot. Bonds5

About 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide

1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide (PubChem CID 7598626) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
PubChem CID7598626
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2=O)c1
InChIInChI=1S/C21H21N3O4S/c1-14-5-6-15(2)16(12-14)13-24-11-3-4-19(21(24)26)20(25)23-17-7-9-18(10-8-17)29(22,27)28/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,27,28)
InChIKeyJXHQCVHAZNOYRA-UHFFFAOYSA-N
XLogP2.41
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7597899
N-(4-carbamoylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598720
ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7598620
1-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598610
N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 8670906
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
1-[(2,5-dimethylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598678
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
1-[(2,5-dimethylphenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598660
N-(1,3-benzothiazol-2-yl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598690
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide (CID 7598626) is 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide is Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)c2=O)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The InChIKey is JXHQCVHAZNOYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14-5-6-15(2)16(12-14)13-24-11-3-4-19(21(24)26)20(25)23-17-7-9-18(10-8-17)29(22,27)28/h3-12H,13H2,1-2H3,(H,23,25)(H2,22,27,28).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 7598626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).