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

C94H86F4I4N12O17 — CID 158414426

IUPAC4-(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
SMILESCC(=O)c1cccc(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)c1C.CCC(=O)c1cccc(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)c1C.Cc1c(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)cccc1C(=O)CC1CC1.Cc1c(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)cccc1O[C@@H]1CCOC1
InChIInChI=1S/C25H23FIN3O4.C24H23FIN3O5.C23H21FIN3O4.C22H19FIN3O4/c1-13-16(19(31)10-14-6-7-14)4-3-5-20(13)34-21-12-22(32)30(2)25(23(21)24(28)33)29-18-9-8-15(27)11-17(18)26;1-13-18(33-15-8-9-32-12-15)4-3-5-19(13)34-20-11-21(30)29(2)24(22(20)23(27)31)28-17-7-6-14(26)10-16(17)25;1-4-17(29)14-6-5-7-18(12(14)2)32-19-11-20(30)28(3)23(21(19)22(26)31)27-16-9-8-13(25)10-15(16)24;1-11-14(12(2)28)5-4-6-17(11)31-18-10-19(29)27(3)22(20(18)21(25)30)26-16-8-7-13(24)9-15(16)23/h3-5,8-9,11-12,14,29H,6-7,10H2,1-2H3,(H2,28,33);3-7,10-11,15,28H,8-9,12H2,1-2H3,(H2,27,31);5-11,27H,4H2,1-3H3,(H2,26,31);4-10,26H,1-3H3,(H2,25,30)/t;15-;;/m.1../s1
InChIKeyGZSBSBJBSRDLOE-FTBZCSGFSA-N
MW2239.40 g/mol
LogP18.23
Rot. Bonds28

About 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

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 (PubChem CID 158414426) has the molecular formula C94H86F4I4N12O17 and a molecular weight of 2239.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158414426
Molecular FormulaC94H86F4I4N12O17
Molecular Weight2239.40 g/mol
Exact Mass2238.23
IUPAC Name4-(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
SMILESCC(=O)c1cccc(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)c1C.CCC(=O)c1cccc(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)c1C.Cc1c(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)cccc1C(=O)CC1CC1.Cc1c(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)cccc1O[C@@H]1CCOC1
InChIInChI=1S/C25H23FIN3O4.C24H23FIN3O5.C23H21FIN3O4.C22H19FIN3O4/c1-13-16(19(31)10-14-6-7-14)4-3-5-20(13)34-21-12-22(32)30(2)25(23(21)24(28)33)29-18-9-8-15(27)11-17(18)26;1-13-18(33-15-8-9-32-12-15)4-3-5-19(13)34-20-11-21(30)29(2)24(22(20)23(27)31)28-17-7-6-14(26)10-16(17)25;1-4-17(29)14-6-5-7-18(12(14)2)32-19-11-20(30)28(3)23(21(19)22(26)31)27-16-9-8-13(25)10-15(16)24;1-11-14(12(2)28)5-4-6-17(11)31-18-10-19(29)27(3)22(20(18)21(25)30)26-16-8-7-13(24)9-15(16)23/h3-5,8-9,11-12,14,29H,6-7,10H2,1-2H3,(H2,28,33);3-7,10-11,15,28H,8-9,12H2,1-2H3,(H2,27,31);5-11,27H,4H2,1-3H3,(H2,26,31);4-10,26H,1-3H3,(H2,25,30)/t;15-;;/m.1../s1
InChIKeyGZSBSBJBSRDLOE-FTBZCSGFSA-N
XLogP18.23
TPSA415.07 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002239.40
LogP ≤ 518.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide
CID 144833298
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
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
2-(2-fluoro-4-iodoanilino)-4-(3-methoxy-2-methylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 118041867
2-(2-fluoro-4-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide
CID 175207880
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-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
2-(2-fluoro-4-methylanilino)-1-methyl-4-[(4-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
CID 144833184
4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 144833254
4-[2-chloro-3-(sulfamoylamino)phenoxy]-N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 170385424

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cccc(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)c1C.CCC(=O)c1cccc(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)c1C.Cc1c(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)cccc1C(=O)CC1CC1.Cc1c(Oc2cc(=O)n(C)c(Nc3ccc(I)cc3F)c2C(N)=O)cccc1O[C@@H]1CCOC1.
What is the InChIKey of 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?
The InChIKey is GZSBSBJBSRDLOE-FTBZCSGFSA-N. The full InChI is InChI=1S/C25H23FIN3O4.C24H23FIN3O5.C23H21FIN3O4.C22H19FIN3O4/c1-13-16(19(31)10-14-6-7-14)4-3-5-20(13)34-21-12-22(32)30(2)25(23(21)24(28)33)29-18-9-8-15(27)11-17(18)26;1-13-18(33-15-8-9-32-12-15)4-3-5-19(13)34-20-11-21(30)29(2)24(22(20)23(27)31)28-17-7-6-14(26)10-16(17)25;1-4-17(29)14-6-5-7-18(12(14)2)32-19-11-20(30)28(3)23(21(19)22(26)31)27-16-9-8-13(25)10-15(16)24;1-11-14(12(2)28)5-4-6-17(11)31-18-10-19(29)27(3)22(20(18)21(25)30)26-16-8-7-13(24)9-15(16)23/h3-5,8-9,11-12,14,29H,6-7,10H2,1-2H3,(H2,28,33);3-7,10-11,15,28H,8-9,12H2,1-2H3,(H2,27,31);5-11,27H,4H2,1-3H3,(H2,26,31);4-10,26H,1-3H3,(H2,25,30)/t;15-;;/m.1../s1.
What are the key properties of 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?
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 has a molecular weight of 2239.40 g/mol, XLogP of 18.23, 28 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158414426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).