5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide

C20H22FN3O4S — CID 123781630

IUPAC5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCCCCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H22FN3O4S/c1-4-5-6-13-11-15-16(18(22)25)17(12-7-9-14(21)10-8-12)28-20(15)23-19(13)24(2)29(3,26)27/h7-11H,4-6H2,1-3H3,(H2,22,25)
InChIKeyOWQGQYBXTAEKOJ-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.47
Rot. Bonds7

About 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide

5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 123781630) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID123781630
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCCCCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1N(C)S(C)(=O)=O
InChIInChI=1S/C20H22FN3O4S/c1-4-5-6-13-11-15-16(18(22)25)17(12-7-9-14(21)10-8-12)28-20(15)23-19(13)24(2)29(3,26)27/h7-11H,4-6H2,1-3H3,(H2,22,25)
InChIKeyOWQGQYBXTAEKOJ-UHFFFAOYSA-N
XLogP3.47
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-5-(iodomethyl)-6-[methylsulfonyl(4-methylsulfonylbutyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123526694
5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 66664004
5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123790068
6-[but-3-enyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-(iodomethyl)furo[2,3-b]pyridine-3-carboxamide
CID 123670297
6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide
CID 123825132
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123841555
5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 157183968
5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123370387
5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052351
carbamoyl 2-(4-fluorophenyl)-5-iodo-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxylate
CID 123342774
4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid
CID 66663684

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (CID 123781630) is 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is CCCCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1N(C)S(C)(=O)=O.
What is the InChIKey of 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is OWQGQYBXTAEKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-4-5-6-13-11-15-16(18(22)25)17(12-7-9-14(21)10-8-12)28-20(15)23-19(13)24(2)29(3,26)27/h7-11H,4-6H2,1-3H3,(H2,22,25).
What are the key properties of 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 123781630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).