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

C15H21FN4O2 — CID 129346080

IUPAC(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1CCCCO1
InChIInChI=1S/C15H21FN4O2/c16-11-8-12(20(10-11)14-5-3-6-18-19-14)9-17-15(21)13-4-1-2-7-22-13/h3,5-6,11-13H,1-2,4,7-10H2,(H,17,21)/t11-,12-,13-/m0/s1
InChIKeyJYBUJVQHGXQJEN-AVGNSLFASA-N
MW308.36 g/mol
LogP1.08
Rot. Bonds4

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

(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide (PubChem CID 129346080) has the molecular formula C15H21FN4O2 and a molecular weight of 308.36 g/mol. Its IUPAC name is (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide
PubChem CID129346080
Molecular FormulaC15H21FN4O2
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide
SMILESO=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1CCCCO1
InChIInChI=1S/C15H21FN4O2/c16-11-8-12(20(10-11)14-5-3-6-18-19-14)9-17-15(21)13-4-1-2-7-22-13/h3,5-6,11-13H,1-2,4,7-10H2,(H,17,21)/t11-,12-,13-/m0/s1
InChIKeyJYBUJVQHGXQJEN-AVGNSLFASA-N
XLogP1.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide with MolForge

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Related Compounds

(3S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thian-3-amine
CID 129340407
1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 128972211
(2S,4S)-2-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120637035
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
N-[(3-aminocyclopentyl)methyl]oxane-2-carboxamide
CID 106121843
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 98765693
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619
(2S)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 35855214
(2R)-N-[2-(4-fluorophenyl)ethyl]oxane-2-carboxamide
CID 96587677
3-[2-(oxane-2-carbonylamino)ethyl]benzoic acid
CID 63795107

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide?
The IUPAC name of (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide (CID 129346080) is (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide?
The canonical SMILES for (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide is O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1CCCCO1.
What is the InChIKey of (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide?
The InChIKey is JYBUJVQHGXQJEN-AVGNSLFASA-N. The full InChI is InChI=1S/C15H21FN4O2/c16-11-8-12(20(10-11)14-5-3-6-18-19-14)9-17-15(21)13-4-1-2-7-22-13/h3,5-6,11-13H,1-2,4,7-10H2,(H,17,21)/t11-,12-,13-/m0/s1.
What are the key properties of (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide?
(2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide has a molecular weight of 308.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]oxane-2-carboxamide is sourced from PubChem (CID 129346080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).