4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

C19H18FN3O4S — CID 59378013

IUPAC4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O4S/c1-11-2-7-14(28(21,26)27)8-17(11)23-19(25)16-10-22-18(24)9-15(16)12-3-5-13(20)6-4-12/h2-8,10,15H,9H2,1H3,(H,22,24)(H,23,25)(H2,21,26,27)
InChIKeyHLXVZGDCACFARH-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.91
Rot. Bonds4

About 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide

4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (PubChem CID 59378013) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
PubChem CID59378013
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O4S/c1-11-2-7-14(28(21,26)27)8-17(11)23-19(25)16-10-22-18(24)9-15(16)12-3-5-13(20)6-4-12/h2-8,10,15H,9H2,1H3,(H,22,24)(H,23,25)(H2,21,26,27)
InChIKeyHLXVZGDCACFARH-UHFFFAOYSA-N
XLogP1.91
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-(2,5-dimethylphenyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378023
N-[5-(1,5-dimethylpyrazol-3-yl)-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215388
4-(4-fluorophenyl)-N-[2-methyl-5-(4-methylimidazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 75215659
(4R)-4-(3-fluorophenyl)-N-(2-methyl-5-propan-2-ylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 68606231
(4S)-4-(4-fluorophenyl)-N-[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-3-yl]-2-methylphenyl]-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 67277239
methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
CID 68607305
(4S)-4-(4-fluorophenyl)-2-oxo-N-[5-(1H-pyrazol-5-yl)-2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide
CID 67276541
3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 4155198
N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
CID 76891188
N-(2-bromo-4,5-dimethoxyphenyl)-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 59378005
2-hydroxy-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 61129726
(4S)-4-(4-fluorophenyl)-1-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377521

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide (CID 59378013) is 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)C1=CNC(=O)CC1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
The InChIKey is HLXVZGDCACFARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-11-2-7-14(28(21,26)27)8-17(11)23-19(25)16-10-22-18(24)9-15(16)12-3-5-13(20)6-4-12/h2-8,10,15H,9H2,1H3,(H,22,24)(H,23,25)(H2,21,26,27).
What are the key properties of 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide?
4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-methyl-5-sulfamoylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide is sourced from PubChem (CID 59378013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).