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

C14H13FIN3O2 — CID 11372988

IUPAC4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cn(C)c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C14H13FIN3O2/c1-17-14(21)9-7-19(2)13(20)6-12(9)18-11-4-3-8(16)5-10(11)15/h3-7,18H,1-2H3,(H,17,21)
InChIKeyGHWGOWZXFSETFX-UHFFFAOYSA-N
MW401.18 g/mol
LogP2.23
Rot. Bonds3

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

4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 11372988) has the molecular formula C14H13FIN3O2 and a molecular weight of 401.18 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID11372988
Molecular FormulaC14H13FIN3O2
Molecular Weight401.18 g/mol
Exact Mass401.00
IUPAC Name4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1cn(C)c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C14H13FIN3O2/c1-17-14(21)9-7-19(2)13(20)6-12(9)18-11-4-3-8(16)5-10(11)15/h3-7,18H,1-2H3,(H,17,21)
InChIKeyGHWGOWZXFSETFX-UHFFFAOYSA-N
XLogP2.23
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-(2-Fluoro-4-iodoanilino)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 11338183

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide (CID 11372988) is 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide is CNC(=O)c1cn(C)c(=O)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is GHWGOWZXFSETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FIN3O2/c1-17-14(21)9-7-19(2)13(20)6-12(9)18-11-4-3-8(16)5-10(11)15/h3-7,18H,1-2H3,(H,17,21).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 401.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11372988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).