2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide

C16H19FIN3O4 — CID 154553691

IUPAC2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide
SMILESCC1=CC(C(=O)NOCCO)C(Nc2ccc(I)cc2F)N(C)C1=O
InChIInChI=1S/C16H19FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,11,14,19,22H,5-6H2,1-2H3,(H,20,23)
InChIKeyVJYXFXVTEJUAKX-UHFFFAOYSA-N
MW463.25 g/mol
LogP1.24
Rot. Bonds6

About 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide

2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide (PubChem CID 154553691) has the molecular formula C16H19FIN3O4 and a molecular weight of 463.25 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide
PubChem CID154553691
Molecular FormulaC16H19FIN3O4
Molecular Weight463.25 g/mol
Exact Mass463.04
IUPAC Name2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide
SMILESCC1=CC(C(=O)NOCCO)C(Nc2ccc(I)cc2F)N(C)C1=O
InChIInChI=1S/C16H19FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,11,14,19,22H,5-6H2,1-2H3,(H,20,23)
InChIKeyVJYXFXVTEJUAKX-UHFFFAOYSA-N
XLogP1.24
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-fluoroanilino)-5-ethyl-N-(2-hydroxyethoxy)-1-methyl-6-oxo-2,3-dihydropyridine-3-carboxamide
CID 152808195
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
(E)-4-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-2-methylidenebut-3-enamide
CID 89147864
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
2-[[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carbonyl]amino]oxyethyl (2S)-2-aminopropanoate
CID 89307323
N'-(2-fluoro-4-iodophenyl)-2-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carbohydrazide
CID 142791554
1-[5-(2-fluoro-4-iodoanilino)-4-[2-(2-hydroxyethoxyamino)cyclopropyl]-1,3-dimethylpyrrol-2-yl]ethanone
CID 143666929
5-(1,3-dioxolan-2-yl)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 59348028
7-cyano-3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide
CID 88932158

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide (CID 154553691) is 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide is CC1=CC(C(=O)NOCCO)C(Nc2ccc(I)cc2F)N(C)C1=O.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide?
The InChIKey is VJYXFXVTEJUAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,11,14,19,22H,5-6H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide has a molecular weight of 463.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-2,3-dihydropyridine-3-carboxamide is sourced from PubChem (CID 154553691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).