4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide

C10H14FN4O2+ — CID 143338717

IUPAC4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide
SMILESCO[n+]1ncccc1NC(=O)C1CC(F)CN1
InChIInChI=1S/C10H13FN4O2/c1-17-15-9(3-2-4-13-15)14-10(16)8-5-7(11)6-12-8/h2-4,7-8,12H,5-6H2,1H3/p+1
InChIKeyTUQDZELERHMTOL-UHFFFAOYSA-O
MW241.25 g/mol
LogP-0.93
Rot. Bonds3

About 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide

4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide (PubChem CID 143338717) has the molecular formula C10H14FN4O2+ and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide
PubChem CID143338717
Molecular FormulaC10H14FN4O2+
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide
SMILESCO[n+]1ncccc1NC(=O)C1CC(F)CN1
InChIInChI=1S/C10H13FN4O2/c1-17-15-9(3-2-4-13-15)14-10(16)8-5-7(11)6-12-8/h2-4,7-8,12H,5-6H2,1H3/p+1
InChIKeyTUQDZELERHMTOL-UHFFFAOYSA-O
XLogP-0.93
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide (CID 143338717) is 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide is CO[n+]1ncccc1NC(=O)C1CC(F)CN1.
What is the InChIKey of 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is TUQDZELERHMTOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13FN4O2/c1-17-15-9(3-2-4-13-15)14-10(16)8-5-7(11)6-12-8/h2-4,7-8,12H,5-6H2,1H3/p+1.
What are the key properties of 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide?
4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxypyridazin-2-ium-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143338717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).