ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one

C20H25FN2O4 — CID 145480110

IUPACethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one
SMILESCC.Cc1ccc(Nc2cc(=O)n(C)c3c2CC(OCCO)=CO3)c(F)c1
InChIInChI=1S/C18H19FN2O4.C2H6/c1-11-3-4-15(14(19)7-11)20-16-9-17(23)21(2)18-13(16)8-12(10-25-18)24-6-5-22;1-2/h3-4,7,9-10,20,22H,5-6,8H2,1-2H3;1-2H3
InChIKeyKKJJFCSSCPDVMK-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.39
Rot. Bonds5

About ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one

ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one (PubChem CID 145480110) has the molecular formula C20H25FN2O4 and a molecular weight of 376.43 g/mol. Its IUPAC name is ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one.

Molecular Properties

Compound Nameethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one
PubChem CID145480110
Molecular FormulaC20H25FN2O4
Molecular Weight376.43 g/mol
Exact Mass376.18
IUPAC Nameethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one
SMILESCC.Cc1ccc(Nc2cc(=O)n(C)c3c2CC(OCCO)=CO3)c(F)c1
InChIInChI=1S/C18H19FN2O4.C2H6/c1-11-3-4-15(14(19)7-11)20-16-9-17(23)21(2)18-13(16)8-12(10-25-18)24-6-5-22;1-2/h3-4,7,9-10,20,22H,5-6,8H2,1-2H3;1-2H3
InChIKeyKKJJFCSSCPDVMK-UHFFFAOYSA-N
XLogP3.39
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one with MolForge

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Related Compounds

ethane;8-(2-fluoro-4-methylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione
CID 165394436
ethane;5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711337
methyl 2-[5-(2-fluoro-4-methylanilino)-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-3-yl]acetate
CID 143711375
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
4-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 142980506
3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-methylanilino)-8-methyl-4-methylidenepyrido[2,3-d]pyrimidin-7-one
CID 143711364
4-(2-fluoro-4-methylanilino)-1-methyl-6-oxopyridine-3-carboxamide
CID 11482748
2-fluoro-5-(2-fluoro-4-methylanilino)-3,8-dimethylpyrido[2,3-d]pyrimidine-4,7-dione
CID 143711329
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 144761820
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
CID 143666971
5-[(2,3-dihydroxypropylamino)sulfanylamino]-4-(2-fluoro-4-methylanilino)-1-methylpyridin-2-one;ethane
CID 143564185
7-cyano-3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[3,2-c]pyridine-2-carboxamide;ethane
CID 143686852

Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one?
The IUPAC name of ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one (CID 145480110) is ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one.
What is the SMILES notation for ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one?
The canonical SMILES for ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one is CC.Cc1ccc(Nc2cc(=O)n(C)c3c2CC(OCCO)=CO3)c(F)c1.
What is the InChIKey of ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one?
The InChIKey is KKJJFCSSCPDVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4.C2H6/c1-11-3-4-15(14(19)7-11)20-16-9-17(23)21(2)18-13(16)8-12(10-25-18)24-6-5-22;1-2/h3-4,7,9-10,20,22H,5-6,8H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one?
ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one has a molecular weight of 376.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-fluoro-4-methylanilino)-3-(2-hydroxyethoxy)-8-methyl-4H-pyrano[2,3-b]pyridin-7-one is sourced from PubChem (CID 145480110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).