4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide

C12H9FIN3O2 — CID 11406147

IUPAC4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C12H9FIN3O2/c13-8-3-6(14)1-2-9(8)17-10-4-11(18)16-5-7(10)12(15)19/h1-5H,(H2,15,19)(H2,16,17,18)
InChIKeyHALXYXINRHRFCA-UHFFFAOYSA-N
MW373.13 g/mol
LogP1.96
Rot. Bonds3

About 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide

4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 11406147) has the molecular formula C12H9FIN3O2 and a molecular weight of 373.13 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID11406147
Molecular FormulaC12H9FIN3O2
Molecular Weight373.13 g/mol
Exact Mass372.97
IUPAC Name4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C12H9FIN3O2/c13-8-3-6(14)1-2-9(8)17-10-4-11(18)16-5-7(10)12(15)19/h1-5H,(H2,15,19)(H2,16,17,18)
InChIKeyHALXYXINRHRFCA-UHFFFAOYSA-N
XLogP1.96
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.13
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-anilino-5-cyano-6-oxo-1H-pyridin-3-yl)methylidene]propanedinitrile
CID 1208269
1-allyl-N-[4-(dimethylamino)phenyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486116
N-[4-(acetylamino)phenyl]-1-allyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486117
1-allyl-5-chloro-2-oxo-N-phenyl-1,2-dihydro-3-pyridinecarboxamide
CID 1486142
N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1H-pyridine-3-carboxamide
CID 17434871
4-(2-Fluoro-4-iodoanilino)-6-oxo-1-propylpyridine-3-carboxamide
CID 11165914
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11166713
1-Allyl-4-(2-fluoro-4-iodoanilino)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11177427
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11189634
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11213014
4-(2-Fluoro-4-iodoanilino)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid
CID 11234608
4-(2-fluoro-4-iodoanilino)-N,N,1-trimethyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11269976

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide (CID 11406147) is 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HALXYXINRHRFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FIN3O2/c13-8-3-6(14)1-2-9(8)17-10-4-11(18)16-5-7(10)12(15)19/h1-5H,(H2,15,19)(H2,16,17,18).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 373.13 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 11406147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).