2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid

C11H12FN3O3 — CID 105381860

IUPAC2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
SMILESNC(=O)C1CCCN1c1nccc(C(=O)O)c1F
InChIInChI=1S/C11H12FN3O3/c12-8-6(11(17)18)3-4-14-10(8)15-5-1-2-7(15)9(13)16/h3-4,7H,1-2,5H2,(H2,13,16)(H,17,18)
InChIKeyOAJHKBLPAICEAP-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.37
Rot. Bonds3

About 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid

2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105381860) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
PubChem CID105381860
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
SMILESNC(=O)C1CCCN1c1nccc(C(=O)O)c1F
InChIInChI=1S/C11H12FN3O3/c12-8-6(11(17)18)3-4-14-10(8)15-5-1-2-7(15)9(13)16/h3-4,7H,1-2,5H2,(H2,13,16)(H,17,18)
InChIKeyOAJHKBLPAICEAP-UHFFFAOYSA-N
XLogP0.37
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 114086983
1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
CID 43183688
2-(2,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105382715
3-fluoro-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 102781599
1-[3-(aminomethyl)pyrazin-2-yl]piperidine-2-carboxamide
CID 62672889
2-(2-carbamoylpiperidin-1-yl)-6-chloropyridine-3-carboxylic acid
CID 63380093
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 62684493
1-(4-carbamothioyl-2,3-difluorophenyl)pyrrolidine-2-carboxamide
CID 107934486
1-(2-methylpyrimidin-4-yl)piperidine-2-carboxamide
CID 110269417
1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 165488499

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid (CID 105381860) is 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid is NC(=O)C1CCCN1c1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is OAJHKBLPAICEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c12-8-6(11(17)18)3-4-14-10(8)15-5-1-2-7(15)9(13)16/h3-4,7H,1-2,5H2,(H2,13,16)(H,17,18).
What are the key properties of 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid?
2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 253.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105381860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).