2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide

C23H19FIN5O5 — CID 175207880

IUPAC2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide
SMILESCN1C(=O)CN(c2cccc(Oc3cc(=O)n(C)c(Nc4ccc(I)cc4F)c3C(N)=O)c2)C1=O
InChIInChI=1S/C23H19FIN5O5/c1-28-18(31)10-17(20(21(26)33)22(28)27-16-7-6-12(25)8-15(16)24)35-14-5-3-4-13(9-14)30-11-19(32)29(2)23(30)34/h3-10,27H,11H2,1-2H3,(H2,26,33)
InChIKeyDQUNNFQZRPBZER-UHFFFAOYSA-N
MW591.34 g/mol
LogP3.16
Rot. Bonds6

About 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide

2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide (PubChem CID 175207880) has the molecular formula C23H19FIN5O5 and a molecular weight of 591.34 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide
PubChem CID175207880
Molecular FormulaC23H19FIN5O5
Molecular Weight591.34 g/mol
Exact Mass591.04
IUPAC Name2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide
SMILESCN1C(=O)CN(c2cccc(Oc3cc(=O)n(C)c(Nc4ccc(I)cc4F)c3C(N)=O)c2)C1=O
InChIInChI=1S/C23H19FIN5O5/c1-28-18(31)10-17(20(21(26)33)22(28)27-16-7-6-12(25)8-15(16)24)35-14-5-3-4-13(9-14)30-11-19(32)29(2)23(30)34/h3-10,27H,11H2,1-2H3,(H2,26,33)
InChIKeyDQUNNFQZRPBZER-UHFFFAOYSA-N
XLogP3.16
TPSA126.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)oxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 155040675
2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 154662807
2-(2-fluoro-4-iodoanilino)-1-methyl-4-(1-nitrosoindol-4-yl)oxy-6-oxopyridine-3-carboxamide
CID 154662818
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
2-(2-fluoro-4-methylanilino)-1-methyl-4-[(4-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
CID 144833184
4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenoxy]benzamide
CID 46196196
2-(2-fluoro-4-iodoanilino)-4-(3-methoxy-2-methylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 118041867
2-[3-(2-aminoethyl)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 67413643
[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]carbamic acid
CID 150134423
4-(3-acetyl-2-methylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;4-[3-(2-cyclopropylacetyl)-2-methylphenoxy]-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;2-(2-fluoro-4-iodoanilino)-1-methyl-4-[2-methyl-3-[(3R)-oxolan-3-yl]oxyphenoxy]-6-oxopyridine-3-carboxamide;2-(2-fluoro-4-iodoanilino)-1-methyl-4-(2-methyl-3-propanoylphenoxy)-6-oxopyridine-3-carboxamide
CID 158414426
ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide
CID 144833298
2-[3-(cyclopentanecarbonylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 66909312

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide (CID 175207880) is 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide is CN1C(=O)CN(c2cccc(Oc3cc(=O)n(C)c(Nc4ccc(I)cc4F)c3C(N)=O)c2)C1=O.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide?
The InChIKey is DQUNNFQZRPBZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FIN5O5/c1-28-18(31)10-17(20(21(26)33)22(28)27-16-7-6-12(25)8-15(16)24)35-14-5-3-4-13(9-14)30-11-19(32)29(2)23(30)34/h3-10,27H,11H2,1-2H3,(H2,26,33).
What are the key properties of 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide has a molecular weight of 591.34 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 175207880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).