6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid

C14H19N3O2 — CID 63537874

IUPAC6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H19N3O2/c18-14(19)12-4-3-5-13(15-12)17-9-6-11(10-17)16-7-1-2-8-16/h3-5,11H,1-2,6-10H2,(H,18,19)
InChIKeyMYCBPXIQABZSTR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.45
Rot. Bonds3

About 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid

6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 63537874) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
PubChem CID63537874
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C14H19N3O2/c18-14(19)12-4-3-5-13(15-12)17-9-6-11(10-17)16-7-1-2-8-16/h3-5,11H,1-2,6-10H2,(H,18,19)
InChIKeyMYCBPXIQABZSTR-UHFFFAOYSA-N
XLogP1.45
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoropyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 122057812
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine-4-carboxylic acid
CID 107553915
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-2-carbothioamide
CID 79935683
6-(3-cyclopropylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 122057511
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
N-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80827880
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
6-[4-(4-methylcyclohexyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053839
6-(1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl)pyridine-2-carboxylic acid
CID 167953738
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid (CID 63537874) is 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(N3CCCC3)C2)n1.
What is the InChIKey of 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is MYCBPXIQABZSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(19)12-4-3-5-13(15-12)17-9-6-11(10-17)16-7-1-2-8-16/h3-5,11H,1-2,6-10H2,(H,18,19).
What are the key properties of 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid?
6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63537874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).