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

C21H16FIN4O3 — CID 154662807

IUPAC2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(Nc2ccc(I)cc2F)c(C(N)=O)c(Oc2cccc3[nH]ccc23)cc1=O
InChIInChI=1S/C21H16FIN4O3/c1-27-18(28)10-17(30-16-4-2-3-14-12(16)7-8-25-14)19(20(24)29)21(27)26-15-6-5-11(23)9-13(15)22/h2-10,25-26H,1H3,(H2,24,29)
InChIKeyJHWKXOWCHHJKCT-UHFFFAOYSA-N
MW518.29 g/mol
LogP4.25
Rot. Bonds5

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

2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 154662807) has the molecular formula C21H16FIN4O3 and a molecular weight of 518.29 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID154662807
Molecular FormulaC21H16FIN4O3
Molecular Weight518.29 g/mol
Exact Mass518.03
IUPAC Name2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1c(Nc2ccc(I)cc2F)c(C(N)=O)c(Oc2cccc3[nH]ccc23)cc1=O
InChIInChI=1S/C21H16FIN4O3/c1-27-18(28)10-17(30-16-4-2-3-14-12(16)7-8-25-14)19(20(24)29)21(27)26-15-6-5-11(23)9-13(15)22/h2-10,25-26H,1H3,(H2,24,29)
InChIKeyJHWKXOWCHHJKCT-UHFFFAOYSA-N
XLogP4.25
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.29
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-4-iodoanilino)-1-methyl-4-(1-nitrosoindol-4-yl)oxy-6-oxopyridine-3-carboxamide
CID 154662818
2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide
CID 175207880
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
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-(3-methoxy-2-methylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 118041867
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
2-(2-fluoro-4-methylanilino)-1-methyl-4-[(4-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
CID 144833184
ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide
CID 144833298
2-(2-fluoro-4-iodoanilino)-4-(3-hydroxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide;1-(2-fluoro-4-iodophenyl)-5-(3-hydroxy-2-methylphenoxy)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
CID 158830046
4-(2,3-dimethylphenoxy)-2-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxamide;5-(2,3-dimethylphenoxy)-1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methylpyrido[2,3-d]pyrimidine-2,4,7-trione;[1-(2-fluoro-4-iodophenyl)-3-[(4-methoxyphenyl)methyl]-8-methyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] trifluoromethanesulfonate
CID 160668130
[3-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]phenyl]carbamic acid
CID 150134423
4-fluoro-2-(2-fluoro-4-iodoanilino)-6-[3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenoxy]benzamide
CID 46196196

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide (CID 154662807) is 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide is Cn1c(Nc2ccc(I)cc2F)c(C(N)=O)c(Oc2cccc3[nH]ccc23)cc1=O.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is JHWKXOWCHHJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FIN4O3/c1-27-18(28)10-17(30-16-4-2-3-14-12(16)7-8-25-14)19(20(24)29)21(27)26-15-6-5-11(23)9-13(15)22/h2-10,25-26H,1H3,(H2,24,29).
What are the key properties of 2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide?
2-(2-fluoro-4-iodoanilino)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 518.29 g/mol, XLogP of 4.25, 5 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)-4-(1H-indol-4-yloxy)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 154662807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).