4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide

C21H17FN2O2 — CID 73055995

IUPAC4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide
SMILESO=C(NC1(c2ccccc2)CCOc2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c22-17-10-8-15(9-11-17)20(25)24-21(16-5-2-1-3-6-16)12-14-26-18-7-4-13-23-19(18)21/h1-11,13H,12,14H2,(H,24,25)
InChIKeyBPUXTVFTDPFGLT-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.68
Rot. Bonds3

About 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide

4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide (PubChem CID 73055995) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide
PubChem CID73055995
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide
SMILESO=C(NC1(c2ccccc2)CCOc2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c22-17-10-8-15(9-11-17)20(25)24-21(16-5-2-1-3-6-16)12-14-26-18-7-4-13-23-19(18)21/h1-11,13H,12,14H2,(H,24,25)
InChIKeyBPUXTVFTDPFGLT-UHFFFAOYSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide (CID 73055995) is 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide is O=C(NC1(c2ccccc2)CCOc2cccnc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide?
The InChIKey is BPUXTVFTDPFGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c22-17-10-8-15(9-11-17)20(25)24-21(16-5-2-1-3-6-16)12-14-26-18-7-4-13-23-19(18)21/h1-11,13H,12,14H2,(H,24,25).
What are the key properties of 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide?
4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide has a molecular weight of 348.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-phenyl-2,3-dihydropyrano[3,2-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 73055995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).