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

C15H15FIN3O3 — CID 11464600

IUPAC4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1cn(CCCO)c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C15H15FIN3O3/c16-11-6-9(17)2-3-12(11)19-13-7-14(22)20(4-1-5-21)8-10(13)15(18)23/h2-3,6-8,19,21H,1,4-5H2,(H2,18,23)
InChIKeyMMROEHLZAGNNKO-UHFFFAOYSA-N
MW431.21 g/mol
LogP1.82
Rot. Bonds6

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

4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide (PubChem CID 11464600) has the molecular formula C15H15FIN3O3 and a molecular weight of 431.21 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide
PubChem CID11464600
Molecular FormulaC15H15FIN3O3
Molecular Weight431.21 g/mol
Exact Mass431.01
IUPAC Name4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1cn(CCCO)c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C15H15FIN3O3/c16-11-6-9(17)2-3-12(11)19-13-7-14(22)20(4-1-5-21)8-10(13)15(18)23/h2-3,6-8,19,21H,1,4-5H2,(H2,18,23)
InChIKeyMMROEHLZAGNNKO-UHFFFAOYSA-N
XLogP1.82
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.21
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide (CID 11464600) is 4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide is NC(=O)c1cn(CCCO)c(=O)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide?
The InChIKey is MMROEHLZAGNNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FIN3O3/c16-11-6-9(17)2-3-12(11)19-13-7-14(22)20(4-1-5-21)8-10(13)15(18)23/h2-3,6-8,19,21H,1,4-5H2,(H2,18,23).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide has a molecular weight of 431.21 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-1-(3-hydroxypropyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 11464600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).