5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

C26H24FN3O3 — CID 59233666

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/C26H24FN3O3/c1-26(2,3)30-23(31)17-7-5-6-16(12-17)18-13-20-21(24(32)28-4)22(33-25(20)29-14-18)15-8-10-19(27)11-9-15/h5-14H,1-4H3,(H,28,32)(H,30,31)
InChIKeyMGPOUFHDWGXHDI-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.19
Rot. Bonds4

About 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (PubChem CID 59233666) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
PubChem CID59233666
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cccc(C(=O)NC(C)(C)C)c3)cc12
InChIInChI=1S/C26H24FN3O3/c1-26(2,3)30-23(31)17-7-5-6-16(12-17)18-13-20-21(24(32)28-4)22(33-25(20)29-14-18)15-8-10-19(27)11-9-15/h5-14H,1-4H3,(H,28,32)(H,30,31)
InChIKeyMGPOUFHDWGXHDI-UHFFFAOYSA-N
XLogP5.19
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide (CID 59233666) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ncc(-c3cccc(C(=O)NC(C)(C)C)c3)cc12.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
The InChIKey is MGPOUFHDWGXHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-26(2,3)30-23(31)17-7-5-6-16(12-17)18-13-20-21(24(32)28-4)22(33-25(20)29-14-18)15-8-10-19(27)11-9-15/h5-14H,1-4H3,(H,28,32)(H,30,31).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 59233666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).