2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide

C20H18F3N3O2 — CID 10000386

IUPAC2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide
SMILESCN1CCC(c2coc3ccc(NC(=O)c4c(F)cc(F)cc4F)nc23)CC1
InChIInChI=1S/C20H18F3N3O2/c1-26-6-4-11(5-7-26)13-10-28-16-2-3-17(24-19(13)16)25-20(27)18-14(22)8-12(21)9-15(18)23/h2-3,8-11H,4-7H2,1H3,(H,24,25,27)
InChIKeyGXBIYXIMLSXCCJ-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.31
Rot. Bonds3

About 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide

2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide (PubChem CID 10000386) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide
PubChem CID10000386
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide
SMILESCN1CCC(c2coc3ccc(NC(=O)c4c(F)cc(F)cc4F)nc23)CC1
InChIInChI=1S/C20H18F3N3O2/c1-26-6-4-11(5-7-26)13-10-28-16-2-3-17(24-19(13)16)25-20(27)18-14(22)8-12(21)9-15(18)23/h2-3,8-11H,4-7H2,1H3,(H,24,25,27)
InChIKeyGXBIYXIMLSXCCJ-UHFFFAOYSA-N
XLogP4.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide (CID 10000386) is 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide is CN1CCC(c2coc3ccc(NC(=O)c4c(F)cc(F)cc4F)nc23)CC1.
What is the InChIKey of 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide?
The InChIKey is GXBIYXIMLSXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-26-6-4-11(5-7-26)13-10-28-16-2-3-17(24-19(13)16)25-20(27)18-14(22)8-12(21)9-15(18)23/h2-3,8-11H,4-7H2,1H3,(H,24,25,27).
What are the key properties of 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide?
2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide has a molecular weight of 389.38 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[3-(1-methylpiperidin-4-yl)furo[3,2-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 10000386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).