2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid

C14H19N3O2 — CID 114047324

IUPAC2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid
SMILESNc1cnc(N2CCC3CCCCC32)c(C(=O)O)c1
InChIInChI=1S/C14H19N3O2/c15-10-7-11(14(18)19)13(16-8-10)17-6-5-9-3-1-2-4-12(9)17/h7-9,12H,1-6,15H2,(H,18,19)
InChIKeyIEUFSACPQFMZMY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.13
Rot. Bonds2

About 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid

2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid (PubChem CID 114047324) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid
PubChem CID114047324
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid
SMILESNc1cnc(N2CCC3CCCCC32)c(C(=O)O)c1
InChIInChI=1S/C14H19N3O2/c15-10-7-11(14(18)19)13(16-8-10)17-6-5-9-3-1-2-4-12(9)17/h7-9,12H,1-6,15H2,(H,18,19)
InChIKeyIEUFSACPQFMZMY-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

Analyze 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid with MolForge

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Related Compounds

5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53213920
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-aminopyridine-3-carboxylic acid
CID 81440175
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrimidine-5-carboxylic acid
CID 114214472
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carbonitrile
CID 103468915
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-amine
CID 103739512
5-amino-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53213919
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminobenzoic acid
CID 102727692
4-(2-cyclopentylpyrrolidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 81244532
[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-3-pyridinyl]methanamine
CID 82749684
5-amino-2-(4-cyclopentylpiperazin-1-yl)pyridine-3-carboxamide
CID 62370258
5-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 82487874

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid?
The IUPAC name of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid (CID 114047324) is 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid is Nc1cnc(N2CCC3CCCCC32)c(C(=O)O)c1.
What is the InChIKey of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid?
The InChIKey is IEUFSACPQFMZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-10-7-11(14(18)19)13(16-8-10)17-6-5-9-3-1-2-4-12(9)17/h7-9,12H,1-6,15H2,(H,18,19).
What are the key properties of 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid?
2-(2,3,3a,4,5,6,7,7a-octahydroindol-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 2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-aminopyridine-3-carboxylic acid is sourced from PubChem (CID 114047324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).