ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide

C24H28FN3O4 — CID 144833136

IUPACethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCC.COc1cccc(Oc2cc(=O)n(C)c(Nc3ccc(C)cc3F)c2C(N)=O)c1C
InChIInChI=1S/C22H22FN3O4.C2H6/c1-12-8-9-15(14(23)10-12)25-22-20(21(24)28)18(11-19(27)26(22)3)30-17-7-5-6-16(29-4)13(17)2;1-2/h5-11,25H,1-4H3,(H2,24,28);1-2H3
InChIKeyRCIOFPHCCYOHFX-UHFFFAOYSA-N
MW441.50 g/mol
LogP4.81
Rot. Bonds6

About ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide

ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 144833136) has the molecular formula C24H28FN3O4 and a molecular weight of 441.50 g/mol. Its IUPAC name is ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID144833136
Molecular FormulaC24H28FN3O4
Molecular Weight441.50 g/mol
Exact Mass441.21
IUPAC Nameethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
SMILESCC.COc1cccc(Oc2cc(=O)n(C)c(Nc3ccc(C)cc3F)c2C(N)=O)c1C
InChIInChI=1S/C22H22FN3O4.C2H6/c1-12-8-9-15(14(23)10-12)25-22-20(21(24)28)18(11-19(27)26(22)3)30-17-7-5-6-16(29-4)13(17)2;1-2/h5-11,25H,1-4H3,(H2,24,28);1-2H3
InChIKeyRCIOFPHCCYOHFX-UHFFFAOYSA-N
XLogP4.81
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
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-(3-methoxy-2-methylphenoxy)-N-[(4-methoxyphenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 118041867
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-methylanilino)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 143439014
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-iodoanilino)-1-methyl-4-[3-(3-methyl-2,4-dioxoimidazolidin-1-yl)phenoxy]-6-oxopyridine-3-carboxamide
CID 175207880
2-(2-fluoro-4-methylanilino)-N-[(4-methoxyphenyl)methyl]-1-methyl-4-[(5-methyl-3-pyridinyl)oxy]-6-oxopyridine-3-carboxamide
CID 144833272
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

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide (CID 144833136) is ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide is CC.COc1cccc(Oc2cc(=O)n(C)c(Nc3ccc(C)cc3F)c2C(N)=O)c1C.
What is the InChIKey of ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is RCIOFPHCCYOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4.C2H6/c1-12-8-9-15(14(23)10-12)25-22-20(21(24)28)18(11-19(27)26(22)3)30-17-7-5-6-16(29-4)13(17)2;1-2/h5-11,25H,1-4H3,(H2,24,28);1-2H3.
What are the key properties of ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide?
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 144833136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).