6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide

C20H22FN3O5 — CID 123636689

IUPAC6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCCC(O)CONC(=O)c1c(Nc2ccc(C)cc2F)n(C)c(=O)c2ccoc12
InChIInChI=1S/C20H22FN3O5/c1-4-12(25)10-29-23-19(26)16-17-13(7-8-28-17)20(27)24(3)18(16)22-15-6-5-11(2)9-14(15)21/h5-9,12,22,25H,4,10H2,1-3H3,(H,23,26)
InChIKeyHOOQSZPYEZKANB-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.75
Rot. Bonds7

About 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide

6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 123636689) has the molecular formula C20H22FN3O5 and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
PubChem CID123636689
Molecular FormulaC20H22FN3O5
Molecular Weight403.41 g/mol
Exact Mass403.15
IUPAC Name6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
SMILESCCC(O)CONC(=O)c1c(Nc2ccc(C)cc2F)n(C)c(=O)c2ccoc12
InChIInChI=1S/C20H22FN3O5/c1-4-12(25)10-29-23-19(26)16-17-13(7-8-28-17)20(27)24(3)18(16)22-15-6-5-11(2)9-14(15)21/h5-9,12,22,25H,4,10H2,1-3H3,(H,23,26)
InChIKeyHOOQSZPYEZKANB-UHFFFAOYSA-N
XLogP2.75
TPSA105.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 86712551
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxy)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 144761820
6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid
CID 142284829
6-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-5-methyl-2-(morpholin-4-ylmethyl)-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 123951183
5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
3-(2-fluoro-4-methylanilino)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbohydrazide
CID 123593181
N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
CID 143806427
6-(2-fluoro-4-iodoanilino)-7-[hydroxy-[[(2S)-1-hydroxypropan-2-yl]oxyamino]methyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 126592413
ethane;ethyl 5-acetyl-4-fluoro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylate
CID 143666971
N-(2,3-dihydroxypropoxy)-2-(2-fluoro-4-methylanilino)-5-methylthieno[2,3-b]pyridine-3-carboxamide
CID 142476290
6-(2-fluoro-4-iodoanilino)-7-[hydroxy-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]methyl]-5-methylfuro[3,2-c]pyridin-4-one
CID 126592353
3-(2-fluoro-4-methylanilino)-N-(2-hydroxypropoxymethyl)-2-methyl-1-oxo-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carboxamide
CID 123271402

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide (CID 123636689) is 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide is CCC(O)CONC(=O)c1c(Nc2ccc(C)cc2F)n(C)c(=O)c2ccoc12.
What is the InChIKey of 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
The InChIKey is HOOQSZPYEZKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O5/c1-4-12(25)10-29-23-19(26)16-17-13(7-8-28-17)20(27)24(3)18(16)22-15-6-5-11(2)9-14(15)21/h5-9,12,22,25H,4,10H2,1-3H3,(H,23,26).
What are the key properties of 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide?
6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methylanilino)-N-(2-hydroxybutoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 123636689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).