N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide

C13H16FN3O — CID 175776752

IUPACN-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C2CC2)n1)C1CC(F)CN1
InChIInChI=1S/C13H16FN3O/c14-9-6-11(15-7-9)13(18)17-12-3-1-2-10(16-12)8-4-5-8/h1-3,8-9,11,15H,4-7H2,(H,16,17,18)
InChIKeyTYYLPAIJZAEDHV-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.60
Rot. Bonds3

About N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide

N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 175776752) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID175776752
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(C2CC2)n1)C1CC(F)CN1
InChIInChI=1S/C13H16FN3O/c14-9-6-11(15-7-9)13(18)17-12-3-1-2-10(16-12)8-4-5-8/h1-3,8-9,11,15H,4-7H2,(H,16,17,18)
InChIKeyTYYLPAIJZAEDHV-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide (CID 175776752) is N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide is O=C(Nc1cccc(C2CC2)n1)C1CC(F)CN1.
What is the InChIKey of N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is TYYLPAIJZAEDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-9-6-11(15-7-9)13(18)17-12-3-1-2-10(16-12)8-4-5-8/h1-3,8-9,11,15H,4-7H2,(H,16,17,18).
What are the key properties of N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 175776752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).