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

C20H19FN4O4S — CID 54575086

IUPAC5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(CCC#N)cc12
InChIInChI=1S/C20H19FN4O4S/c1-23-19(26)16-15-11-13(5-4-10-22)18(25(2)30(3,27)28)24-20(15)29-17(16)12-6-8-14(21)9-7-12/h6-9,11H,4-5H2,1-3H3,(H,23,26)
InChIKeyZIXYQIQBLGKJSV-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.85
Rot. Bonds6

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

5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 54575086) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID54575086
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(CCC#N)cc12
InChIInChI=1S/C20H19FN4O4S/c1-23-19(26)16-15-11-13(5-4-10-22)18(25(2)30(3,27)28)24-20(15)29-17(16)12-6-8-14(21)9-7-12/h6-9,11H,4-5H2,1-3H3,(H,23,26)
InChIKeyZIXYQIQBLGKJSV-UHFFFAOYSA-N
XLogP2.85
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (CID 54575086) is 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(CCC#N)cc12.
What is the InChIKey of 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZIXYQIQBLGKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-23-19(26)16-15-11-13(5-4-10-22)18(25(2)30(3,27)28)24-20(15)29-17(16)12-6-8-14(21)9-7-12/h6-9,11H,4-5H2,1-3H3,(H,23,26).
What are the key properties of 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoethyl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 54575086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).