1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide

C10H12FN3O — CID 140521967

IUPAC1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN1F
InChIInChI=1S/C10H12FN3O/c11-14-6-2-4-9(14)10(15)13-8-3-1-5-12-7-8/h1,3,5,7,9H,2,4,6H2,(H,13,15)
InChIKeyLTZJHXBOKFOCHR-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.37
Rot. Bonds2

About 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide

1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 140521967) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID140521967
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)C1CCCN1F
InChIInChI=1S/C10H12FN3O/c11-14-6-2-4-9(14)10(15)13-8-3-1-5-12-7-8/h1,3,5,7,9H,2,4,6H2,(H,13,15)
InChIKeyLTZJHXBOKFOCHR-UHFFFAOYSA-N
XLogP1.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10263302
1-(3,4-dimethoxyphenyl)sulfonyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 108789805
1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 175120523
1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 175120141
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 140521967) is 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide is O=C(Nc1cccnc1)C1CCCN1F.
What is the InChIKey of 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is LTZJHXBOKFOCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-14-6-2-4-9(14)10(15)13-8-3-1-5-12-7-8/h1,3,5,7,9H,2,4,6H2,(H,13,15).
What are the key properties of 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide?
1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 209.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 140521967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).