2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide

C15H21F2N3O3 — CID 140679701

IUPAC2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)Cc1nccc(N[C@@H]2COC[C@H]2F)c1C(N)=O
InChIInChI=1S/C15H21F2N3O3/c1-15(2,22)12(17)5-10-13(14(18)21)9(3-4-19-10)20-11-7-23-6-8(11)16/h3-4,8,11-12,22H,5-7H2,1-2H3,(H2,18,21)(H,19,20)/t8-,11-,12-/m1/s1
InChIKeyDRVHRIMVGJPICX-GGZOMVNGSA-N
MW329.35 g/mol
LogP0.98
Rot. Bonds6

About 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide

2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide (PubChem CID 140679701) has the molecular formula C15H21F2N3O3 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide
PubChem CID140679701
Molecular FormulaC15H21F2N3O3
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Name2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)Cc1nccc(N[C@@H]2COC[C@H]2F)c1C(N)=O
InChIInChI=1S/C15H21F2N3O3/c1-15(2,22)12(17)5-10-13(14(18)21)9(3-4-19-10)20-11-7-23-6-8(11)16/h3-4,8,11-12,22H,5-7H2,1-2H3,(H2,18,21)(H,19,20)/t8-,11-,12-/m1/s1
InChIKeyDRVHRIMVGJPICX-GGZOMVNGSA-N
XLogP0.98
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide (CID 140679701) is 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)Cc1nccc(N[C@@H]2COC[C@H]2F)c1C(N)=O.
What is the InChIKey of 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is DRVHRIMVGJPICX-GGZOMVNGSA-N. The full InChI is InChI=1S/C15H21F2N3O3/c1-15(2,22)12(17)5-10-13(14(18)21)9(3-4-19-10)20-11-7-23-6-8(11)16/h3-4,8,11-12,22H,5-7H2,1-2H3,(H2,18,21)(H,19,20)/t8-,11-,12-/m1/s1.
What are the key properties of 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide?
2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R,4S)-4-fluorooxolan-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 140679701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).