4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide

C11H14FN3O — CID 175909680

IUPAC4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(Cc2ccnc(F)c2)CN1
InChIInChI=1S/C11H14FN3O/c12-10-5-7(1-2-14-10)3-8-4-9(11(13)16)15-6-8/h1-2,5,8-9,15H,3-4,6H2,(H2,13,16)
InChIKeyOFJILKVSNBOEPJ-UHFFFAOYSA-N
MW223.25 g/mol
LogP0.23
Rot. Bonds3

About 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide

4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 175909680) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID175909680
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(Cc2ccnc(F)c2)CN1
InChIInChI=1S/C11H14FN3O/c12-10-5-7(1-2-14-10)3-8-4-9(11(13)16)15-6-8/h1-2,5,8-9,15H,3-4,6H2,(H2,13,16)
InChIKeyOFJILKVSNBOEPJ-UHFFFAOYSA-N
XLogP0.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 175909680) is 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide is NC(=O)C1CC(Cc2ccnc(F)c2)CN1.
What is the InChIKey of 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is OFJILKVSNBOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-10-5-7(1-2-14-10)3-8-4-9(11(13)16)15-6-8/h1-2,5,8-9,15H,3-4,6H2,(H2,13,16).
What are the key properties of 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide?
4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 175909680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).