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

C25H19FN2O3 — CID 90039637

IUPAC4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESO=C(N[C@]1(c2ccc(-c3ccoc3)cc2)CCOc2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C25H19FN2O3/c26-21-9-5-18(6-10-21)24(29)28-25(12-15-31-22-2-1-13-27-23(22)25)20-7-3-17(4-8-20)19-11-14-30-16-19/h1-11,13-14,16H,12,15H2,(H,28,29)/t25-/m0/s1
InChIKeyAYCVNNJBWWAPAT-VWLOTQADSA-N
MW414.44 g/mol
LogP4.94
Rot. Bonds4

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

4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (PubChem CID 90039637) has the molecular formula C25H19FN2O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
PubChem CID90039637
Molecular FormulaC25H19FN2O3
Molecular Weight414.44 g/mol
Exact Mass414.14
IUPAC Name4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESO=C(N[C@]1(c2ccc(-c3ccoc3)cc2)CCOc2cccnc21)c1ccc(F)cc1
InChIInChI=1S/C25H19FN2O3/c26-21-9-5-18(6-10-21)24(29)28-25(12-15-31-22-2-1-13-27-23(22)25)20-7-3-17(4-8-20)19-11-14-30-16-19/h1-11,13-14,16H,12,15H2,(H,28,29)/t25-/m0/s1
InChIKeyAYCVNNJBWWAPAT-VWLOTQADSA-N
XLogP4.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (CID 90039637) is 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is O=C(N[C@]1(c2ccc(-c3ccoc3)cc2)CCOc2cccnc21)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The InChIKey is AYCVNNJBWWAPAT-VWLOTQADSA-N. The full InChI is InChI=1S/C25H19FN2O3/c26-21-9-5-18(6-10-21)24(29)28-25(12-15-31-22-2-1-13-27-23(22)25)20-7-3-17(4-8-20)19-11-14-30-16-19/h1-11,13-14,16H,12,15H2,(H,28,29)/t25-/m0/s1.
What are the key properties of 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide has a molecular weight of 414.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 90039637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).