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

C14H13FIN3O3 — CID 23630906

IUPAC4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1cn(CCO)c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C14H13FIN3O3/c15-10-5-8(16)1-2-11(10)18-12-6-13(21)19(3-4-20)7-9(12)14(17)22/h1-2,5-7,18,20H,3-4H2,(H2,17,22)
InChIKeyFTFFGQIQECMKJH-UHFFFAOYSA-N
MW417.18 g/mol
LogP1.43
Rot. Bonds5

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

4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide (PubChem CID 23630906) has the molecular formula C14H13FIN3O3 and a molecular weight of 417.18 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
PubChem CID23630906
Molecular FormulaC14H13FIN3O3
Molecular Weight417.18 g/mol
Exact Mass417.00
IUPAC Name4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
SMILESNC(=O)c1cn(CCO)c(=O)cc1Nc1ccc(I)cc1F
InChIInChI=1S/C14H13FIN3O3/c15-10-5-8(16)1-2-11(10)18-12-6-13(21)19(3-4-20)7-9(12)14(17)22/h1-2,5-7,18,20H,3-4H2,(H2,17,22)
InChIKeyFTFFGQIQECMKJH-UHFFFAOYSA-N
XLogP1.43
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.18
LogP ≤ 51.43
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-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide (CID 23630906) is 4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide is NC(=O)c1cn(CCO)c(=O)cc1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is FTFFGQIQECMKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FIN3O3/c15-10-5-8(16)1-2-11(10)18-12-6-13(21)19(3-4-20)7-9(12)14(17)22/h1-2,5-7,18,20H,3-4H2,(H2,17,22).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
4-(2-fluoro-4-iodoanilino)-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 417.18 g/mol, XLogP of 1.43, 5 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-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 23630906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).