2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide

C13H17FN6O — CID 128974063

IUPAC2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1CC(N)=O)c1cnc(C#N)cn1
InChIInChI=1S/C13H17FN6O/c1-19(13-5-17-10(3-15)4-18-13)7-11-2-9(14)6-20(11)8-12(16)21/h4-5,9,11H,2,6-8H2,1H3,(H2,16,21)/t9-,11-/m0/s1
InChIKeyZXFJDQLFNOLKGG-ONGXEEELSA-N
MW292.32 g/mol
LogP-0.32
Rot. Bonds5

About 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide

2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide (PubChem CID 128974063) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide
PubChem CID128974063
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide
SMILESCN(C[C@@H]1C[C@H](F)CN1CC(N)=O)c1cnc(C#N)cn1
InChIInChI=1S/C13H17FN6O/c1-19(13-5-17-10(3-15)4-18-13)7-11-2-9(14)6-20(11)8-12(16)21/h4-5,9,11H,2,6-8H2,1H3,(H2,16,21)/t9-,11-/m0/s1
InChIKeyZXFJDQLFNOLKGG-ONGXEEELSA-N
XLogP-0.32
TPSA99.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide (CID 128974063) is 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide is CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)c1cnc(C#N)cn1.
What is the InChIKey of 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide?
The InChIKey is ZXFJDQLFNOLKGG-ONGXEEELSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-19(13-5-17-10(3-15)4-18-13)7-11-2-9(14)6-20(11)8-12(16)21/h4-5,9,11H,2,6-8H2,1H3,(H2,16,21)/t9-,11-/m0/s1.
What are the key properties of 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide?
2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide has a molecular weight of 292.32 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-[[(5-cyanopyrazin-2-yl)-methylamino]methyl]-4-fluoropyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128974063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).