2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid

C15H19N3O3 — CID 63614455

IUPAC2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H19N3O3/c19-14(13-12(15(20)21)4-3-6-16-13)18-9-5-11(10-18)17-7-1-2-8-17/h3-4,6,11H,1-2,5,7-10H2,(H,20,21)
InChIKeyMIOPNBJIJFSZKK-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.09
Rot. Bonds3

About 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid

2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid (PubChem CID 63614455) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
PubChem CID63614455
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C15H19N3O3/c19-14(13-12(15(20)21)4-3-6-16-13)18-9-5-11(10-18)17-7-1-2-8-17/h3-4,6,11H,1-2,5,7-10H2,(H,20,21)
InChIKeyMIOPNBJIJFSZKK-UHFFFAOYSA-N
XLogP1.09
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2-pyridinyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107518959
(2-amino-3-pyridinyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174890
2-(3-aminopyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 55248178
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
2-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 103194984
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054
2-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 122106252
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
2-[4-(dimethylamino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 63615245
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
(2-iodophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947262

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid (CID 63614455) is 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
The InChIKey is MIOPNBJIJFSZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(13-12(15(20)21)4-3-6-16-13)18-9-5-11(10-18)17-7-1-2-8-17/h3-4,6,11H,1-2,5,7-10H2,(H,20,21).
What are the key properties of 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid?
2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63614455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).