1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide

C11H12FN3O2 — CID 63972948

IUPAC1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C11H12FN3O2/c12-9-4-3-7(6-14-9)11(17)15-5-1-2-8(15)10(13)16/h3-4,6,8H,1-2,5H2,(H2,13,16)
InChIKeyDZHCXINYGBSJOE-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.31
Rot. Bonds2

About 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide

1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 63972948) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID63972948
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C11H12FN3O2/c12-9-4-3-7(6-14-9)11(17)15-5-1-2-8(15)10(13)16/h3-4,6,8H,1-2,5H2,(H2,13,16)
InChIKeyDZHCXINYGBSJOE-UHFFFAOYSA-N
XLogP0.31
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63979920
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63979551
(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone
CID 68880844
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
1-(4-fluoro-3-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107021942
(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96510202
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
(2S)-1-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]benzoyl]pyrrolidine-2-carboxamide
CID 121495794

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide (CID 63972948) is 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1ccc(F)nc1.
What is the InChIKey of 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is DZHCXINYGBSJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-9-4-3-7(6-14-9)11(17)15-5-1-2-8(15)10(13)16/h3-4,6,8H,1-2,5H2,(H2,13,16).
What are the key properties of 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide?
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 63972948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).