1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid

C14H15N3O2 — CID 81164240

IUPAC1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESN#Cc1cc2c(nc1NC1(C(=O)O)CCC1)CCC2
InChIInChI=1S/C14H15N3O2/c15-8-10-7-9-3-1-4-11(9)16-12(10)17-14(13(18)19)5-2-6-14/h7H,1-6H2,(H,16,17)(H,18,19)
InChIKeyKZKAZZRXCAOAAE-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.86
Rot. Bonds3

About 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid

1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81164240) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID81164240
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid
SMILESN#Cc1cc2c(nc1NC1(C(=O)O)CCC1)CCC2
InChIInChI=1S/C14H15N3O2/c15-8-10-7-9-3-1-4-11(9)16-12(10)17-14(13(18)19)5-2-6-14/h7H,1-6H2,(H,16,17)(H,18,19)
InChIKeyKZKAZZRXCAOAAE-UHFFFAOYSA-N
XLogP1.86
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid (CID 81164240) is 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid is N#Cc1cc2c(nc1NC1(C(=O)O)CCC1)CCC2.
What is the InChIKey of 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is KZKAZZRXCAOAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-8-10-7-9-3-1-4-11(9)16-12(10)17-14(13(18)19)5-2-6-14/h7H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid?
1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81164240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).