N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide

C15H22FN5O2 — CID 128995176

IUPACN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC[C@@H]1C[C@H](F)CN1c1cccnn1
InChIInChI=1S/C15H22FN5O2/c16-12-8-13(21(10-12)14-2-1-3-18-19-14)9-17-15(22)11-20-4-6-23-7-5-20/h1-3,12-13H,4-11H2,(H,17,22)/t12-,13-/m0/s1
InChIKeyKEINYEWIYOSPFE-STQMWFEESA-N
MW323.37 g/mol
LogP-0.16
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide

N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide (PubChem CID 128995176) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide
PubChem CID128995176
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC NameN-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NC[C@@H]1C[C@H](F)CN1c1cccnn1
InChIInChI=1S/C15H22FN5O2/c16-12-8-13(21(10-12)14-2-1-3-18-19-14)9-17-15(22)11-20-4-6-23-7-5-20/h1-3,12-13H,4-11H2,(H,17,22)/t12-,13-/m0/s1
InChIKeyKEINYEWIYOSPFE-STQMWFEESA-N
XLogP-0.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide (CID 128995176) is N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NC[C@@H]1C[C@H](F)CN1c1cccnn1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
The InChIKey is KEINYEWIYOSPFE-STQMWFEESA-N. The full InChI is InChI=1S/C15H22FN5O2/c16-12-8-13(21(10-12)14-2-1-3-18-19-14)9-17-15(22)11-20-4-6-23-7-5-20/h1-3,12-13H,4-11H2,(H,17,22)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide?
N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide has a molecular weight of 323.37 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 128995176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).