6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide

C24H20FN5O2 — CID 67267161

IUPAC6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1O)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H20FN5O2/c25-17-5-3-4-15(10-17)18-9-8-16(11-26-18)24(32)29-21-13-30(14-22(21)31)23-12-27-19-6-1-2-7-20(19)28-23/h1-12,21-22,31H,13-14H2,(H,29,32)/t21-,22-/m1/s1
InChIKeyOHKMMFFYIPUDOW-FGZHOGPDSA-N
MW429.46 g/mol
LogP2.81
Rot. Bonds4

About 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 67267161) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID67267161
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1O)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C24H20FN5O2/c25-17-5-3-4-15(10-17)18-9-8-16(11-26-18)24(32)29-21-13-30(14-22(21)31)23-12-27-19-6-1-2-7-20(19)28-23/h1-12,21-22,31H,13-14H2,(H,29,32)/t21-,22-/m1/s1
InChIKeyOHKMMFFYIPUDOW-FGZHOGPDSA-N
XLogP2.81
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide (CID 67267161) is 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1O)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is OHKMMFFYIPUDOW-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H20FN5O2/c25-17-5-3-4-15(10-17)18-9-8-16(11-26-18)24(32)29-21-13-30(14-22(21)31)23-12-27-19-6-1-2-7-20(19)28-23/h1-12,21-22,31H,13-14H2,(H,29,32)/t21-,22-/m1/s1.
What are the key properties of 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 429.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-quinoxalin-2-ylpyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 67267161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).