6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid

C14H19N3O2 — CID 81440175

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCCC2CCCC21
InChIInChI=1S/C14H19N3O2/c15-11-7-10(14(18)19)8-16-13(11)17-6-2-4-9-3-1-5-12(9)17/h7-9,12H,1-6,15H2,(H,18,19)
InChIKeyRGZPSWCVIDAXKP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.13
Rot. Bonds2

About 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid (PubChem CID 81440175) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid
PubChem CID81440175
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1N1CCCC2CCCC21
InChIInChI=1S/C14H19N3O2/c15-11-7-10(14(18)19)8-16-13(11)17-6-2-4-9-3-1-5-12(9)17/h7-9,12H,1-6,15H2,(H,18,19)
InChIKeyRGZPSWCVIDAXKP-UHFFFAOYSA-N
XLogP2.13
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid (CID 81440175) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1N1CCCC2CCCC21.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid?
The InChIKey is RGZPSWCVIDAXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-7-10(14(18)19)8-16-13(11)17-6-2-4-9-3-1-5-12(9)17/h7-9,12H,1-6,15H2,(H,18,19).
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid is sourced from PubChem (CID 81440175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).