5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid

C15H19N3O2 — CID 82845367

IUPAC5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H19N3O2/c1-10(4-2-7-14(19)20)17-15-12(9-16)8-11-5-3-6-13(11)18-15/h8,10H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyFEINENJYMYBSAH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.50
Rot. Bonds6

About 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid

5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid (PubChem CID 82845367) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid
PubChem CID82845367
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H19N3O2/c1-10(4-2-7-14(19)20)17-15-12(9-16)8-11-5-3-6-13(11)18-15/h8,10H,2-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyFEINENJYMYBSAH-UHFFFAOYSA-N
XLogP2.50
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid?
The IUPAC name of 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid (CID 82845367) is 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid?
The canonical SMILES for 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid is CC(CCCC(=O)O)Nc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid?
The InChIKey is FEINENJYMYBSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(4-2-7-14(19)20)17-15-12(9-16)8-11-5-3-6-13(11)18-15/h8,10H,2-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid?
5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 82845367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).