2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide

C15H15FIN3O3 — CID 59342492

IUPAC2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCONC(=O)c1cc(C)c(=O)n(C)c1Nc1ccc(I)cc1F
InChIInChI=1S/C15H15FIN3O3/c1-8-6-10(14(21)19-23-3)13(20(2)15(8)22)18-12-5-4-9(17)7-11(12)16/h4-7,18H,1-3H3,(H,19,21)
InChIKeyTXPJMHBIZCFRFV-UHFFFAOYSA-N
MW431.21 g/mol
LogP2.47
Rot. Bonds4

About 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide

2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 59342492) has the molecular formula C15H15FIN3O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID59342492
Molecular FormulaC15H15FIN3O3
Molecular Weight431.21 g/mol
Exact Mass431.01
IUPAC Name2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCONC(=O)c1cc(C)c(=O)n(C)c1Nc1ccc(I)cc1F
InChIInChI=1S/C15H15FIN3O3/c1-8-6-10(14(21)19-23-3)13(20(2)15(8)22)18-12-5-4-9(17)7-11(12)16/h4-7,18H,1-3H3,(H,19,21)
InChIKeyTXPJMHBIZCFRFV-UHFFFAOYSA-N
XLogP2.47
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carbonyl]amino]oxyethyl (2S)-2-aminopropanoate
CID 89307323
CID 88870300
CID 88870300
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
2-(2-fluoro-4-iodoanilino)-5-[[3-fluoro-2-(methylsulfamoylamino)-4-pyridinyl]methyl]-N-methoxy-1-methyl-6-oxopyridine-3-carboxamide
CID 156808808
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxopyridine-3-carboxylic acid
CID 91555123
5-acetyl-N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxamide
CID 74402613
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfonamide
CID 68792846
N'-(2-fluoro-4-iodophenyl)-2-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carbohydrazide
CID 142791554
6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 86712551
5-cyclopropyl-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methoxybenzamide
CID 176716521

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide (CID 59342492) is 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide is CONC(=O)c1cc(C)c(=O)n(C)c1Nc1ccc(I)cc1F.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is TXPJMHBIZCFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN3O3/c1-8-6-10(14(21)19-23-3)13(20(2)15(8)22)18-12-5-4-9(17)7-11(12)16/h4-7,18H,1-3H3,(H,19,21).
What are the key properties of 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 431.21 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 59342492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).