2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide

C20H24FN3O4 — CID 40778236

IUPAC2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)NCc1cccnc1
InChIInChI=1S/C20H24FN3O4/c21-15-5-3-13(4-6-15)9-23-12-17-20(27)19(26)16(28-17)8-18(25)24-11-14-2-1-7-22-10-14/h1-7,10,16-17,19-20,23,26-27H,8-9,11-12H2,(H,24,25)/t16-,17+,19-,20+/m0/s1
InChIKeyZNCXLQIFFRCRHD-KVPLUYHFSA-N
MW389.43 g/mol
LogP0.51
Rot. Bonds8

About 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 40778236) has the molecular formula C20H24FN3O4 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID40778236
Molecular FormulaC20H24FN3O4
Molecular Weight389.43 g/mol
Exact Mass389.18
IUPAC Name2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)NCc1cccnc1
InChIInChI=1S/C20H24FN3O4/c21-15-5-3-13(4-6-15)9-23-12-17-20(27)19(26)16(28-17)8-18(25)24-11-14-2-1-7-22-10-14/h1-7,10,16-17,19-20,23,26-27H,8-9,11-12H2,(H,24,25)/t16-,17+,19-,20+/m0/s1
InChIKeyZNCXLQIFFRCRHD-KVPLUYHFSA-N
XLogP0.51
TPSA103.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide 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 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 40778236) is 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(C[C@@H]1O[C@H](CNCc2ccc(F)cc2)[C@@H](O)[C@H]1O)NCc1cccnc1.
What is the InChIKey of 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ZNCXLQIFFRCRHD-KVPLUYHFSA-N. The full InChI is InChI=1S/C20H24FN3O4/c21-15-5-3-13(4-6-15)9-23-12-17-20(27)19(26)16(28-17)8-18(25)24-11-14-2-1-7-22-10-14/h1-7,10,16-17,19-20,23,26-27H,8-9,11-12H2,(H,24,25)/t16-,17+,19-,20+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 0.51, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 40778236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).