4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide

C13H11FIN3O2 — CID 11338183

IUPAC4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20)
InChIKeyPJMVKCSXHOGMAD-UHFFFAOYSA-N
MW387.15 g/mol
LogP1.97
Rot. Bonds3

About 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide

4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 11338183) has the molecular formula C13H11FIN3O2 and a molecular weight of 387.15 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID11338183
Molecular FormulaC13H11FIN3O2
Molecular Weight387.15 g/mol
Exact Mass386.99
IUPAC Name4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20)
InChIKeyPJMVKCSXHOGMAD-UHFFFAOYSA-N
XLogP1.97
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide (CID 11338183) is 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is PJMVKCSXHOGMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FIN3O2/c1-18-6-8(13(16)20)11(5-12(18)19)17-10-3-2-7(15)4-9(10)14/h2-6,17H,1H3,(H2,16,20).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 387.15 g/mol, XLogP of 1.97, 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)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11338183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).