N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide

C13H16N6O — CID 75446480

IUPACN-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide
SMILESN#Cc1nc(N)n(CCNC(=O)C2CCCC2)c1C#N
InChIInChI=1S/C13H16N6O/c14-7-10-11(8-15)19(13(16)18-10)6-5-17-12(20)9-3-1-2-4-9/h9H,1-6H2,(H2,16,18)(H,17,20)
InChIKeyBGJLEMXBZSRCAB-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.52
Rot. Bonds4

About N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide

N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 75446480) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID75446480
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide
SMILESN#Cc1nc(N)n(CCNC(=O)C2CCCC2)c1C#N
InChIInChI=1S/C13H16N6O/c14-7-10-11(8-15)19(13(16)18-10)6-5-17-12(20)9-3-1-2-4-9/h9H,1-6H2,(H2,16,18)(H,17,20)
InChIKeyBGJLEMXBZSRCAB-UHFFFAOYSA-N
XLogP0.52
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide (CID 75446480) is N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide is N#Cc1nc(N)n(CCNC(=O)C2CCCC2)c1C#N.
What is the InChIKey of N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is BGJLEMXBZSRCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-7-10-11(8-15)19(13(16)18-10)6-5-17-12(20)9-3-1-2-4-9/h9H,1-6H2,(H2,16,18)(H,17,20).
What are the key properties of N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide?
N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-4,5-dicyanoimidazol-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 75446480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).