ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide

C27H32FN3O5 — CID 144833298

IUPACethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide
SMILESCC.Cc1ccc(Nc2c(C(N)=O)c(Oc3cccc(OC4CCOC4)c3C)cc(=O)n2C)c(F)c1
InChIInChI=1S/C25H26FN3O5.C2H6/c1-14-7-8-18(17(26)11-14)28-25-23(24(27)31)21(12-22(30)29(25)3)34-20-6-4-5-19(15(20)2)33-16-9-10-32-13-16;1-2/h4-8,11-12,16,28H,9-10,13H2,1-3H3,(H2,27,31);1-2H3
InChIKeyZYHGBIXLSDNFQL-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.97
Rot. Bonds7

About ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide

ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide (PubChem CID 144833298) has the molecular formula C27H32FN3O5 and a molecular weight of 497.57 g/mol. Its IUPAC name is ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide
PubChem CID144833298
Molecular FormulaC27H32FN3O5
Molecular Weight497.57 g/mol
Exact Mass497.23
IUPAC Nameethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide
SMILESCC.Cc1ccc(Nc2c(C(N)=O)c(Oc3cccc(OC4CCOC4)c3C)cc(=O)n2C)c(F)c1
InChIInChI=1S/C25H26FN3O5.C2H6/c1-14-7-8-18(17(26)11-14)28-25-23(24(27)31)21(12-22(30)29(25)3)34-20-6-4-5-19(15(20)2)33-16-9-10-32-13-16;1-2/h4-8,11-12,16,28H,9-10,13H2,1-3H3,(H2,27,31);1-2H3
InChIKeyZYHGBIXLSDNFQL-UHFFFAOYSA-N
XLogP4.97
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
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
4-[3-(ethylsulfanylamino)-2-methylphenoxy]-2-(2-fluoro-4-methylanilino)-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 144833254
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)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide
CID 175207880
2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
2-(2-fluoro-4-iodoanilino)-4-(3-methoxy-2-methylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 118041867
2-methyl-3-(oxolan-3-yloxy)phenol
CID 63556982
4-(3-aminophenoxy)-N-cyclopropyl-2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide;ethane;methanethiol
CID 170602166
2-(oxolan-3-yloxy)benzamide
CID 68643948

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide?
The IUPAC name of ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide (CID 144833298) is ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide?
The canonical SMILES for ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide is CC.Cc1ccc(Nc2c(C(N)=O)c(Oc3cccc(OC4CCOC4)c3C)cc(=O)n2C)c(F)c1.
What is the InChIKey of ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide?
The InChIKey is ZYHGBIXLSDNFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5.C2H6/c1-14-7-8-18(17(26)11-14)28-25-23(24(27)31)21(12-22(30)29(25)3)34-20-6-4-5-19(15(20)2)33-16-9-10-32-13-16;1-2/h4-8,11-12,16,28H,9-10,13H2,1-3H3,(H2,27,31);1-2H3.
What are the key properties of ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide?
ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-fluoro-4-methylanilino)-1-methyl-4-[2-methyl-3-(oxolan-3-yloxy)phenoxy]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 144833298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).