1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide

C20H19N3O4S — CID 7597899

IUPAC1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1Cn1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O
InChIInChI=1S/C20H19N3O4S/c1-14-5-2-3-6-15(14)13-23-12-4-7-18(20(23)25)19(24)22-16-8-10-17(11-9-16)28(21,26)27/h2-12H,13H2,1H3,(H,22,24)(H2,21,26,27)
InChIKeySNYPIEDPYDSTFH-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.10
Rot. Bonds5

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

1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide (PubChem CID 7597899) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
PubChem CID7597899
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
SMILESCc1ccccc1Cn1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O
InChIInChI=1S/C20H19N3O4S/c1-14-5-2-3-6-15(14)13-23-12-4-7-18(20(23)25)19(24)22-16-8-10-17(11-9-16)28(21,26)27/h2-12H,13H2,1H3,(H,22,24)(H2,21,26,27)
InChIKeySNYPIEDPYDSTFH-UHFFFAOYSA-N
XLogP2.10
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7598626
N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597913
N-(4-carbamoylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598720
methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597894
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
1-[(2-fluorophenyl)methoxy]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 18560961
1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 7597976
N-(4-carbamoylphenyl)-1-[(2-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599031
2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
CID 28554911
ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7598620
N-(4-butylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 8670906

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide (CID 7597899) is 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide is Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
The InChIKey is SNYPIEDPYDSTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-5-2-3-6-15(14)13-23-12-4-7-18(20(23)25)19(24)22-16-8-10-17(11-9-16)28(21,26)27/h2-12H,13H2,1H3,(H,22,24)(H2,21,26,27).
What are the key properties of 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide?
1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 7597899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).